Publication Information

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4358, 4366], 'K+': [3, 202, 249, 448, 556, 728, 835, 1333, 2801, 4427], 'channels': [4, 250, 720, 837, 865, 1063, 1090, 1242, 1276, 1423, 1450, 1712, 1730, 2658, 2703, 2872, 3117, 3148, 3168, 3290, 3407, 3589, 4425], 'in': [5, 29, 78, 251, 275, 324, 555, 776, 828, 842, 1092, 1215, 1253, 1286, 1303, 1314, 1356, 1435, 1466, 1523, 1846, 1919, 2066, 2071, 2349, 2403, 2409, 2468, 2522, 2526, 2531, 2561, 2649, 2751, 2762, 2795, 3099, 3126, 3158, 3171, 3517, 3629, 3723, 3755, 3772, 3808, 3822, 3863, 3904, 3951, 3998, 4017, 4024, 4168, 4283, 4365, 4369, 4372], 'the': [6, 30, 43, 48, 59, 79, 106, 110, 139, 143, 151, 171, 180, 195, 242, 252, 276, 289, 294, 305, 325, 352, 356, 385, 389, 397, 417, 426, 441, 488, 645, 662, 724, 779, 787, 800, 920, 978, 1004, 1008, 1066, 1097, 1216, 1223, 1227, 1244, 1254, 1304, 1315, 1319, 1322, 1347, 1353, 1357, 1376, 1380, 1383, 1390, 1436, 1460, 1467, 1529, 1597, 1684, 1706, 1709, 1724, 1728, 1732, 1736, 1740, 1750, 1754, 1765, 1828, 2021, 2025, 2028, 2039, 2072, 2085, 2117, 2126, 2144, 2149, 2158, 2183, 2204, 2211, 2249, 2260, 2302, 2311, 2350, 2404, 2425, 2434, 2441, 2459, 2463, 2473, 2480, 2505, 2546, 2562, 2566, 2591, 2609, 2688, 2691, 2701, 2745, 2752, 2763, 2767, 2779, 2790, 2796, 2808, 2816, 2825, 2843, 2847, 2877, 3124, 3187, 3214, 3243, 3256, 3266, 3284, 3304, 3324, 3339, 3466, 3552, 3560, 3626, 3653, 3669, 3691, 3702, 3730, 3744, 3760, 3763, 3776, 3792, 3797, 3816, 3825, 3830, 3850, 3854, 3859, 3864, 3919, 3927, 3933, 3966, 4005, 4030, 4040, 4060, 4071, 4076, 4091, 4098, 4113, 4133, 4150, 4156, 4200, 4217, 4222, 4226, 4245, 4297, 4308, 4312, 4329, 4337, 4399, 4403, 4410, 4423, 4445, 4455, 4472], 'heart': [7, 253], 'is': [8, 56, 254, 302, 533, 551, 623, 712, 823, 847, 1508, 2227, 2394, 2445, 2453, 2524, 2539, 2545, 3178, 3418, 3605, 3740, 4128, 4178, 4343, 4367, 4378], 'an': [9, 160, 255, 406, 631, 916, 1248, 2395, 2487], 'unintentional': [10, 256], 'side': [11, 113, 152, 162, 257, 359, 398, 408, 635, 1737, 2844, 3670, 4330, 4411], 'effect': [12, 258, 636, 2139, 3350, 4400], 'many': [14, 260, 640, 1576, 2432], 'drugs': [15, 130, 212, 261, 376, 458, 652, 831, 1059, 1444, 3119, 3309, 3413, 3593, 3614, 3827], 'and': [16, 21, 75, 95, 121, 179, 235, 262, 267, 321, 341, 367, 425, 481, 546, 626, 633, 790, 798, 814, 990, 1064, 1084, 1114, 1212, 1219, 1273, 1317, 1350, 1379, 1429, 1433, 1514, 1586, 1599, 1601, 1611, 1697, 1704, 1718, 1731, 1808, 1854, 1860, 1970, 2054, 2068, 2090, 2121, 2157, 2174, 2196, 2274, 2280, 2284, 2290, 2299, 2465, 2471, 2479, 2497, 2544, 2593, 2605, 2661, 2686, 2730, 2831, 2868, 2875, 2880, 3143, 3209, 3276, 3297, 3322, 3358, 3364, 3374, 3379, 3388, 3398, 3403, 3416, 3464, 3496, 3521, 3581, 3649, 3684, 3690, 3708, 3768, 3880, 3912, 3942, 3947, 4000, 4011, 4053, 4084, 4096, 4108, 4115, 4148, 4154, 4194, 4260, 4314, 4407, 4422, 4429, 4436, 4479, 4481], 'can': [17, 263, 627, 810, 3473, 3845], 'induce': [18, 264, 826], 'cardiac': [19, 265, 544, 734], 'arrhythmia': [20, 266, 545, 678, 827], 'sudden': [22, 268, 547, 684, 816], 'death.': [23, 269, 548, 817], 'It': [24, 270], 'has': [25, 271, 902, 1352, 1665, 2399, 2554], 'become': [26, 272], 'common': [27, 193, 273, 439, 625], 'practice': [28, 274], 'past': [31, 277, 646], 'few': [32, 278, 647], 'years': [33, 279], 'to': [34, 54, 100, 103, 194, 211, 224, 280, 300, 346, 349, 440, 457, 470, 543, 825, 850, 906, 1095, 1221, 1257, 1310, 1443, 1454, 1683, 1699, 1713, 1745, 1941, 1956, 1961, 1998, 2031, 2078, 2115, 2143, 2147, 2416, 2440, 2520, 2557, 2599, 2617, 2636, 2682, 2859, 3118, 3134, 3186, 3228, 3255, 3291, 3302, 3318, 3328, 3338, 3354, 3470, 3607, 3618, 3632, 3680, 3775, 3958, 4035, 4142, 4225, 4234, 4363, 4385, 4397, 4444, 4462, 4474], 'screen': [35, 281], 'compounds': [36, 282, 996, 4083], 'for': [37, 58, 125, 166, 283, 304, 371, 412, 515, 731, 997, 1069, 1234, 1270, 1290, 1330, 1607, 1679, 1727, 1813, 2125, 2153, 2201, 2310, 2318, 2655, 2754, 2766, 2846, 2851, 2887, 3163, 3165, 3180, 3245, 3307, 3371, 3395, 3563, 3574, 3579, 3586, 3597, 3625, 3635, 3657, 3662, 3706, 3710, 3725, 3759, 3796, 3824, 3842, 3853, 3875, 3922, 3938, 4021, 4144, 4170, 4183, 4199, 4240, 4244, 4253, 4356], 'channel': [39, 116, 216, 233, 285, 362, 462, 479, 516, 560, 909, 983, 1102, 1228, 1297, 1334, 1394, 1500, 1612, 2130, 2716, 3238, 3352, 3566, 3638, 3928], 'activity': [40, 286, 910, 4229], 'early': [41, 287, 917], 'during': [42, 288, 915], 'drug': [44, 52, 243, 290, 298, 489, 921, 988, 1009, 1598, 2150, 3181, 3881, 4313, 4414], 'discovery': [45, 291], 'process.': [46, 292], 'Understanding': [47, 293], 'molecular': [49, 239, 295, 485, 707, 979, 1067, 1098, 1751], 'basis': [50, 296, 708, 980, 1068], 'binding': [53, 244, 299, 490, 1010, 1237, 1395, 1610, 1682, 1756, 4316], 'crucial': [57, 303], 'rational': [60, 306], 'design': [61, 307, 989], 'medications': [63, 309], 'devoid': [64, 310], 'this': [66, 312, 1077, 1687, 2536, 3564, 3786, 4175, 4305, 4375], 'activity.': [67, 313, 999], 'We': [68, 314, 1585, 2589, 3281, 3571], 'previously': [69, 315, 1362], 'identified': [70, 316, 1207, 2454, 4149], '2': [71, 317, 1208, 1842, 1928, 1931, 2490], 'aromatic': [72, 161, 318, 407, 1209, 1284, 1365, 1583, 1594, 3190], 'residues,': [73, 319, 1210, 2602, 3265], 'Tyr-652': [74, 94, 178, 320, 340, 424, 1211, 1258, 1602, 1672, 1696, 3380, 3404, 4364, 4382, 4418, 4461], 'Phe-656,': [76, 322, 1213], 'located': [77, 323, 1214, 1531], 'S6': [80, 196, 326, 442, 1217, 1287, 1305, 1341, 1437, 1468, 2563], 'domain': [81, 197, 327, 443, 1218, 1306, 1342, 1438, 1469, 2564], 'hERG,': [83, 329, 504, 1991, 4484], 'as': [84, 330, 630, 793, 1325, 1775, 1865, 2061, 2165, 2455, 2835, 3641, 3835, 3963, 4067, 4070, 4161, 4265], 'critical': [85, 331, 1233], 'sites': [86, 332], 'interaction': [88, 176, 334, 422], 'with': [89, 134, 335, 380, 639, 682, 830, 856, 1327, 1671, 1805, 1819, 1831, 1836, 1889, 1944, 1952, 1995, 2111, 2424, 2673, 3019, 3088, 3150, 3719, 4454], 'structurally': [90, 336, 641, 1105, 1281], 'diverse': [91, 337, 642, 1106, 1282], 'drugs.': [92, 186, 338, 432, 1240], 'Here,': [93, 339], 'Phe-656': [96, 342, 1260, 1600, 1674, 1698, 2209, 2513, 2521, 2598, 2616, 2858, 3115, 3146, 3185, 3225, 3252, 3315, 3337, 3378, 3402, 3547, 3884, 4342], 'were': [97, 343, 659, 680, 1386, 1451, 1773, 1803, 1817, 1834, 1863, 1882, 1917, 1950, 1981, 1993, 2059, 2092, 2109, 2141, 2180, 2188, 2199, 2484, 2659, 2671, 2884, 3310, 3567, 3665, 3915, 3930, 4058, 4111, 4264, 4419], 'systematically': [98, 344, 1690], 'mutated': [99, 345, 3227, 3254, 3317, 4384], 'different': [101, 347], 'residues': [102, 223, 348, 469, 1285, 1354, 1366, 1742, 3258, 3341, 3844, 3923, 4184, 4388], 'determine': [104, 350, 2148, 3471, 3619, 4398], 'how': [105, 351], 'physicochemical': [107, 353, 1005, 1733, 2197, 2832, 3802, 3878, 4339], 'properties': [108, 354, 1734, 2261, 2679, 3651, 3879, 4433], 'amino': [111, 357, 1702, 2205, 2312, 2537, 2848, 3191, 3654, 4087, 4376], 'acid': [112, 358, 2538, 2849, 4377], 'group': [114, 163, 360, 409, 2845, 4412, 4447], 'affected': [115, 361, 541], 'block': [117, 126, 363, 372, 713, 833, 862, 984, 1061, 1103, 1446, 1455, 1613, 1714, 1989, 2014, 3140, 3197, 3292, 3355, 3376, 3400, 3515, 3578, 3609, 4485], 'by': [118, 127, 228, 364, 373, 474, 553, 795, 1073, 1104, 1280, 1456, 1458, 1463, 1694, 1715, 2019, 2613, 2633, 2785, 3122, 3129, 3198, 3204, 3218, 3270, 3293, 3326, 3356, 3411, 3590, 3612, 3742, 3848, 4293, 4442], 'cisapride,': [119, 365, 655, 1110, 1716, 3373, 3397], 'terfenadine,': [120, 366, 654, 1111], 'MK-499.': [122, 368, 4241], 'The': [123, 369, 706, 1340, 2103, 2316, 2413, 2447, 2517, 2652, 2712, 3545, 3622, 3659, 3712, 3908, 3935, 4136, 4242, 4273], 'potency': [124, 370], 'all': [128, 374, 3287, 3591, 3699, 3726, 4022, 4081, 4085, 4171], 'three': [129, 375, 1516, 3592, 3666, 3727, 3826, 3860, 4172], 'was': [131, 164, 377, 410, 668, 673, 1308, 1743, 2017, 2323, 2499, 2778, 2803, 2821, 3120, 3216, 3226, 3247, 3253, 3268, 3316, 3557, 3584, 3639, 3704, 3716, 3729, 3769, 4090, 4140, 4208, 4216, 4383], 'well': [132, 378, 4420], 'correlated': [133, 379, 3718, 4063, 4069, 4094, 4119], 'measures': [135, 381], 'hydrophobicity,': [137, 383, 2836], 'especially': [138, 384], 'two-dimensional': [140, 386, 2239, 2291, 3694, 3731, 4043], 'approximation': [141, 387], 'van': [144, 390, 519, 2292, 3732, 3746, 4044], 'der': [145, 391, 520, 2293, 3733, 3747, 4045], 'Waals': [146, 392, 521, 3734, 3748, 4046], 'hydrophobic': [147, 393, 522, 1517, 3340, 3735, 3754, 4008, 4031, 4325, 4344], 'surface': [148, 394, 523, 2297, 2838, 3672, 3688, 3736, 3749, 3778, 3894, 3896, 4047, 4326], 'area': [149, 395, 2405, 3737, 3779, 4327], 'chain': [153, 399, 1738, 3671, 3893], 'residue': [155, 158, 401, 404, 1252, 1462, 2518, 2548, 3686, 3855, 4306, 4361], '656.': [156, 402], 'For': [157, 403, 1575, 3263, 3698, 4196], '652,': [159, 405], 'essential': [165, 411], 'high': [167, 413, 1235, 1291, 1391, 1608, 1680, 3961], 'affinity': [168, 414, 1236, 1292, 1392, 1609, 1681, 4317], 'block,': [169, 415], 'suggesting': [170, 416], 'importance': [172, 418], 'a': [174, 190, 237, 420, 436, 483, 534, 806, 819, 859, 1001, 1267, 1300, 1312, 1332, 1426, 1431, 1504, 1524, 1661, 1890, 1920, 1965, 1972, 2007, 2034, 2112, 2228, 2255, 2326, 2540, 2550, 2559, 2637, 2641, 2664, 2705, 2722, 2731, 3100, 3205, 3271, 3518, 3642, 3645, 3813, 3905, 3988, 4001, 4123, 4129, 4162, 4180, 4478], 'cation-π': [175, 421, 1669, 4450], 'between': [177, 423, 1593, 1723, 2177, 2462, 2824, 3877, 3910], 'basic': [181, 427, 1505, 1662, 4309], 'tertiary': [182, 428], 'nitrogen': [183, 429, 1506, 1532, 4159, 4190, 4310], 'these': [185, 219, 431, 465, 1074, 1239, 1337, 1580, 1692, 2269, 2656, 2888, 3166, 3264, 3308, 3613, 4278, 4333], 'also': [188, 214, 434, 460, 1345, 1424, 1676, 3235, 3282, 3572, 4290], 'lacks': [189, 435, 1336, 1346], 'Pro-Val-Pro': [191, 206, 437, 452, 1348, 1384, 1427], 'motif': [192, 438, 1302, 1349, 1428, 2552], 'most': [199, 445, 1657, 2532, 3325, 4092, 4099, 4117], 'other': [200, 446, 838, 1701, 2494, 2533, 2601, 3188, 4387], 'voltage-gated': [201, 447, 510, 834], 'channels.': [203, 449], 'Introduction': [204, 450], 'into': [207, 453, 812, 1749, 1764, 1815, 3787, 3856], 'reduced': [209, 455, 2865, 4466], 'sensitivity': [210, 456, 1707, 3113, 3285, 3353, 3882, 4473], 'but': [213, 459, 1439, 2800, 4065, 4220], 'altered': [215, 461, 2805, 3196, 3551, 3926], 'gating.': [217, 463], 'Together,': [218, 464, 4332], 'findings': [220, 466], 'assign': [221, 467], 'specific': [222, 468, 1525], 'receptor': [225, 471, 1070], 'fields': [226, 472, 1071], 'predicted': [227, 473, 1072, 1220, 1329, 2464, 3817, 4203], 'pharmacophore': [229, 475, 1014], 'models': [230, 476, 1015, 1492, 4147], 'blockers': [234, 480, 1501, 1659], 'provide': [236, 482, 1746], 'refined': [238, 484], 'understanding': [240, 486, 901, 976], 'site.': [245, 491, 1757], 'Long': [492], 'QT': [493, 502, 788], 'syndrome': [494], '(LQTS)': [495], '1The': [496], 'abbreviations': [497], 'used': [498, 651, 1081, 1744, 4141], 'are:': [499], 'LQTS,': [500], 'long': [501], 'syndrome;': [503], 'human': [505, 715], 'ether-a-go-go': [506, 716], 'related': [507, 717, 3957], 'gene;': [508], 'Kv,': [509], 'K+;': [511], 'V½,': [512], 'voltage': [513, 1085, 1847, 1901, 2127, 2639, 2665, 2708, 2713, 2878, 3526, 3553, 3575], 'half-point': [514, 2118, 2723], 'activation;': [517], 'VHSA,': [518], 'area;': [524], 'WT,': [525], 'wild': [526], 'type;': [527], 'Mes,': [528], '2-[N-morpholino]ethanesulfonic': [529], 'acid;': [530], 'EAG,': [531], 'ether-a-go-go.': [532], 'disorder': [535], 'ventricular': [537, 784, 807], 'repolarization': [538, 732], 'that': [539, 675, 721, 809, 832, 1060, 1231, 1307, 1328, 1335, 1364, 1374, 1445, 1494, 1507, 1590, 1668, 2037, 2398, 2421, 2456, 2553, 2700, 2782, 3234, 3549, 3715, 3924, 4018, 4126, 4185, 4336], 'predisposes': [540], 'individuals': [542], 'Inherited': [549], 'LQTS': [550, 622, 711, 846], 'caused': [552, 677, 2747], 'mutations': [554, 1760, 2746, 2791, 3233], 'or': [557, 562, 664, 679, 852, 1250, 1259, 1673, 2043, 2451, 2542, 2624, 2760, 2829, 2840, 2863, 3152, 3194, 3231, 3261, 3320, 3330, 3344, 3348, 4448, 4451, 4464, 4467], 'Na+': [558], 'ion': [559], 'genes': [561], 'ankyrin-B': [563], '(1Keating': [564], 'M.T.': [565, 744, 3483], 'Sanguinetti': [566, 1124, 1149, 1169, 1193, 1405, 1474, 1622, 1785, 3428, 3452, 3484], 'M.C.': [567, 738, 1125, 1150, 1170, 1194, 1406, 1475, 1623, 1786, 1868, 3429, 3453, 3485], 'Cell.': [568, 745], '2001;': [569, 1153, 3540], '104:': [570], '569-580Abstract': [571], 'Full': [572, 574, 749, 1177, 1179, 3436, 3438], 'Text': [573, 575, 750, 1178, 1180, 3437, 3439], 'PDF': [576, 751, 1181, 3440], 'PubMed': [577, 616, 701, 752, 769, 895, 953, 969, 1031, 1053, 1136, 1156, 1182, 1200, 1417, 1486, 1548, 1570, 1634, 1797, 1911, 2584, 3441, 3459, 3491], 'Scopus': [578, 617, 702, 753, 770, 896, 954, 970, 1032, 1054, 1137, 1157, 1183, 1201, 1418, 1487, 1549, 1571, 1635, 1798, 1877, 1912, 2344, 2388, 2585, 3442, 3460, 3492, 3509, 3984], '(862)': [579], 'Google': [580, 619, 704, 755, 772, 898, 956, 972, 1034, 1056, 1139, 1159, 1185, 1203, 1420, 1489, 1551, 1573, 1637, 1652, 1800, 1879, 1914, 2346, 2390, 2587, 3444, 3462, 3494, 3511, 3543, 3986], 'Scholar,': [581, 756, 957, 1035, 1140, 1160, 1186, 1552, 1638, 2375, 3445], '2Mohler': [582], 'P.J.': [583], 'Schott': [584], 'J.J.': [585], 'Gramolini': [586], 'A.O.': [587], 'Dilly': [588], 'K.W.': [589], 'Guatimosim': [590], 'S.': [591, 877, 935, 1037, 1131, 1412, 1481, 1554, 1629, 1792], 'DuBell': [592], 'W.H.': [593], 'Song': [594], 'L.S.': [595], 'Haurogne': [596], 'K.': [597, 1142, 1146], 'Kyndt': [598], 'F.': [599, 1022, 1539, 3529], 'Ali': [600], 'M.E.': [601, 742, 3481], 'Rogers': [602], 'T.B.': [603], 'Lederer': [604], 'W.J.': [605, 1039, 1556], 'Escande': [606, 3532], 'D.': [607, 694, 2372, 2573, 3533], 'Marec': [608], 'H.L.': [609], 'Bennett': [610], 'V.': [611], 'Nature.': [612, 2580], '2003;': [613, 698, 892, 950, 966, 1197, 3456], '421:': [614], '634-639Crossref': [615], '(839)': [618, 3985], 'Scholar).': [620, 705, 773, 899, 973, 1204, 1421, 1490, 1574, 1653, 1801, 1880, 1915, 2391, 2588, 3544], 'Acquired': [621], 'more': [624, 4061, 4187, 4319], 'be': [628, 1677, 3474, 3846, 4291], 'induced': [629, 2792], 'unintended': [632], 'rare': [634], 'treatment': [638], 'medications.': [643], 'In': [644, 818, 1294, 1654, 1686, 2431, 3212, 4033, 4174], 'years,': [648], 'several': [649, 1700], 'commonly': [650], '(e.g.': [653, 3414], 'sertindole,': [656], 'thioridazine,': [657], 'grepafloxacin)': [658], 'withdrawn': [660], 'from': [661, 1959, 1971, 2006, 2640, 2695, 3368, 3392, 3678, 3696, 3932, 3995, 4015, 4277, 4296], 'market,': [663], 'their': [665], 'approved': [666], 'use': [667, 1845, 2077, 2402], 'severely': [669, 3236], 'restricted,': [670], 'when': [671, 2258, 2669, 3224, 3251, 3314, 4214], 'it': [672, 822, 1664, 3604], 'discovered': [674], 'they': [676, 2698, 4019], 'associated': [681], 'unexplained': [683], 'death,': [685], 'albeit': [686], 'very': [687], 'infrequently': [688], '(3Pearlstein': [689], 'R.': [690, 692, 885, 943, 3501], 'Vaz': [691], 'Rampe': [693], 'J.': [695, 1025, 1046, 1119, 1168, 1171, 1400, 1471, 1542, 1563, 1617, 1780, 1871, 2336, 2380, 3427, 3430, 3536, 3976], 'Med.': [696, 1026, 1543], 'Chem.': [697, 1027, 1173, 1544, 2337, 2381, 3432, 3977], '46:': [699], '2017-2022Crossref': [700], '(167)': [703], 'drug-induced': [710, 845, 1988], 'gene': [718], '(hERG)': [719], 'conduct': [722], 'IKr,': [723], 'rapid': [725, 2696], 'delayed': [726], 'rectifier': [727], 'current': [729, 2016, 2088, 2817, 3127], 'important': [730, 1387, 1495, 3179, 4338], 'action': [735, 780], 'potentials': [736], '(4Sanguinetti': [737], 'Jiang': [739], 'C.': [740, 1123, 1166, 1404, 1621, 1784, 3425], 'Curran': [741, 3480], 'Keating': [743, 3482], '1995;': [746, 766, 2341], '81:': [747], '299-307Abstract': [748], '(2161)': [754], '5Trudeau': [757], 'M.': [758, 1024, 1121, 1402, 1541, 1619, 1782, 2359, 2575], 'Warmke': [759], 'J.W.': [760], 'Ganetzky': [761], 'B.': [762, 959], 'Robertson': [763], 'G.A.': [764], 'Science.': [765], '269:': [767], '92-95Crossref': [768], '(1101)': [771], 'A': [774, 974, 1720, 4286], 'reduction': [775], 'IKr': [777], 'prolongs': [778], 'potential': [781, 1974, 2009, 2036, 2643, 2814, 3468], 'duration': [782], 'myocytes,': [785], 'lengthens': [786], 'interval': [789], 'increases': [791, 799], 'dispersion': [792], 'measured': [794, 1982], 'ECG': [796], 'recordings,': [797], 'risk': [801], 'torsades': [803], 'de': [804], 'pointes,': [805], 'tachyarrhythmia': [808], 'degenerate': [811], 'fibrillation': [813], 'cause': [815, 1311], 'laboratory': [820], 'setting,': [821], 'possible': [824], 'animals': [829], '(Kv)': [836], 'than': [839, 4028, 4188, 4320], 'hERG.': [840, 1447], 'However,': [841, 1448, 2530, 3476], 'clinical': [843], 'practice,': [844], 'always': [848, 4112], 'attributable': [849], 'direct': [851, 2435], 'indirect': [853], '(via': [854], 'interference': [855], 'metabolism': [857], 'co-administered': [860], 'medication)': [861], '(6Redfern': [866, 924], 'W.S.': [867, 925], 'Carlsson': [868, 926], 'L.': [869, 927], 'Davis': [870, 928], 'A.S.': [871, 929], 'Lynch': [872, 930], 'W.G.': [873, 931], 'MacKenzie': [874, 932], 'I.': [875, 881, 933, 939, 1148, 3535], 'Palethorpe': [876, 934], 'Siegl': [878, 936], 'P.K.': [879, 937], 'Strang': [880, 938], 'Sullivan': [882, 940], 'A.T.': [883, 941], 'Wallis': [884, 942], 'Camm': [886, 944], 'A.J.': [887, 945, 2377], 'Hammond': [888, 946], 'T.G.': [889, 947], 'Cardiovasc.': [890, 948], 'Res.': [891, 949, 3487, 3505], '58:': [893, 951], '32-45Crossref': [894, 952], '(1329)': [897, 955], 'This': [900, 1265], 'prompted': [903], 'intense': [904], 'efforts': [905], 'quantify': [907, 1987], 'new': [912, 3101, 3906], 'chemical': [913], 'entities': [914], 'stage': [918], 'development': [922], 'process': [923], '7Fermini': [958], 'Fossa': [960], 'A.A.': [961], 'Nat.': [962], 'Rev.': [963], 'Drug': [964, 2366], 'Discov.': [965], '2:': [967, 2386], '439-447Crossref': [968], '(428)': [971], 'better': [975, 4287], 'could': [985, 4289], 'facilitate': [986], 'computer-assisted': [987], 'enable': [991], 'presynthetic,': [992], 'virtual': [993], 'screening': [994], 'Moreover,': [1000], 'description': [1002], 'features': [1006, 1496, 1752], 'site': [1011, 1396, 2567], 'would': [1012], 'complement': [1013], '(8Cavalli': [1016, 1533], 'A.': [1017, 1132, 1413, 1482, 1534, 1630, 1793], 'Poluzzi': [1018, 1535], 'E.': [1019, 1536], 'De': [1020, 1537], 'Ponti': [1021, 1538], 'Recanatini': [1023, 1540], '2002;': [1028, 1050, 1174, 1483, 1545, 1567, 3433], '45:': [1029, 1546], '3844-3853Crossref': [1030, 1547], '(381)': [1033, 1550], '9Ekins': [1036, 1553], 'Crumb': [1038, 1555], 'Sarazan': [1040, 1557], 'R.D.': [1041, 1558], 'Wikel': [1042, 1559], 'J.H.': [1043, 1560], 'Wrighton': [1044, 1561], 'S.A.': [1045, 1562, 3973], 'Pharmacol.': [1047, 1152, 1196, 1564, 1648, 3455, 3537], 'Exp.': [1048, 1565, 3538], 'Ther.': [1049, 1566, 3539], '301:': [1051, 1568], '427-434Crossref': [1052, 1569], '(270)': [1055, 1572], 'Scholar)': [1057, 2347, 3495, 3512], 'define': [1065], 'models.': [1075], 'Toward': [1076], 'goal,': [1078], 'we': [1079, 1361, 1689], 'have': [1080, 1247, 1299, 1430, 1588], 'site-directed': [1082], 'mutagenesis': [1083], 'clamp': [1086, 1848, 1902], 'analysis': [1087, 2496, 3664, 4298], 'mutant': [1089, 1711, 1729, 1741, 2610, 2657, 2702, 2889, 2894, 3116, 3145, 3289, 3381, 3405, 3565, 3588, 3637, 3885, 4424], 'expressed': [1091], 'Xenopus': [1093, 1857], 'oocytes': [1094, 1816, 1859], 'elucidate': [1096], 'mechanisms': [1099], 'drugs,': [1107], 'including': [1108, 2603, 3965], 'MK-499,': [1109, 1717, 3303, 3372, 3396], 'vesnarinone,': [1112], 'chloroquine,': [1113], 'quinidine': [1115, 3415], '(10Mitcheson': [1116, 1397, 1614, 1777], 'J.S.': [1117, 1144, 1398, 1615, 1778], 'Chen': [1118, 1167, 1399, 1616, 1779, 3426], 'Lin': [1120, 1401, 1618, 1781], 'Culberson': [1122, 1165, 1403, 1620, 1783, 3424], 'Proc.': [1126, 1407, 1476, 1624, 1787], 'Natl.': [1127, 1408, 1477, 1625, 1788], 'Acad.': [1128, 1409, 1478, 1626, 1789], 'Sci.': [1129, 1410, 1479, 1627, 1790, 2340, 2384, 3980], 'U.': [1130, 1411, 1480, 1628, 1791], '2000;': [1133, 1414, 1631, 1649, 1794, 2581], '97:': [1134, 1415, 1632, 1795], '12329-12333Crossref': [1135, 1416, 1633, 1796], '(861)': [1138, 1419, 1636, 1799], '11Kamiya': [1141], 'Mitcheson': [1143], 'Yasui': [1145], 'Kodama': [1147], 'Mol.': [1151, 1195, 1647, 3454], '60:': [1154], '244-253Crossref': [1155], '(132)': [1158], '12Sanchez-Chapula': [1161], 'J.A.': [1162, 1188, 3421, 3447], 'Navarro-Polanco': [1163, 1191, 3422, 3450], 'R.A.': [1164, 1192, 3423, 3451], 'Biol.': [1172, 3431], '277:': [1175, 3434], '23587-23595Abstract': [1176, 3435], '(175)': [1184, 3443], '13Sanchez-Chapula': [1187, 3446], 'Ferrer': [1189, 3448], 'T.': [1190, 3449, 3531], '63:': [1198, 3457], '1051-1058Crossref': [1199, 3458], '(120)': [1202, 3461], 'These': [1205, 2678], 'studies': [1206], 'face': [1222, 1375], 'central': [1224, 1323], 'cavity': [1225, 1324], '(Fig.': [1229, 1263, 2528, 2676, 2873, 3240, 3295, 3299, 4380, 4434, 4476], '1a)': [1230], 'are': [1232, 1277, 1288, 1440, 1502, 1582, 1605, 2163, 2647, 2680, 3156, 3169, 3949, 4281], 'Kv': [1241, 2534], 'Kv1–4': [1245, 1275, 1296, 4373], 'families': [1246], 'Ile': [1249, 2543, 2604, 3345, 4379], 'Val': [1251, 2541], 'positions': [1255], 'equivalent': [1256, 1358, 2519, 4362], '1b).': [1264, 2529, 4381], 'suggests': [1266], 'plausible': [1268], 'explanation': [1269], 'why': [1271], 'not': [1274, 2244, 2804, 2854, 2885, 3514, 3568, 3601, 3784, 4066, 4346, 4469], 'readily': [1278], 'blocked': [1279], 'drugs:': [1283], 'required': [1289, 1606, 1678, 2152], 'binding.': [1293], 'addition,': [1295, 1655], 'α-subunits': [1298], 'Pro-Val(Ile)-Pro': [1301, 2551], 'suggested': [1309, 1667], 'bend': [1313, 2560], 'α-helix': [1316], 'alter': [1318], 'shape': [1320, 2281], 'compared': [1326], 'KcsA,': [1331], 'Pro': [1338], 'residues.': [1339], 'instead': [1351], 'Ile-Phe-Gly': [1355], 'positions.': [1359], 'Thus,': [1360, 3603], 'proposed': [1363, 2556], '(2': [1367], 'on': [1368, 2486, 2812, 3351, 3829, 4324, 4413], 'each': [1369, 2202, 3598, 3636, 3857, 4025], 'subunit,': [1370], '8': [1371, 4386], 'per': [1372, 4348], 'channel)': [1373], 'inner': [1377], 'cavity,': [1378], 'lack': [1381, 1425, 2809], 'motif,': [1385], 'determinants': [1388], 'EAG': [1422, 1449], 'Tyr': [1432, 1461, 3195, 3319], 'Phe': [1434, 2852, 4463], 'relatively': [1441, 2627, 2706, 2748, 4430], 'insensitive': [1442], 'made': [1452, 1774], 'sensitive': [1453], 'cisapride': [1457, 3294, 3357, 3522, 4257], 'moving': [1459], 'one': [1464, 4189], 'position': [1465], '(14Chen': [1470], 'Seebohm': [1472], 'G.': [1473, 2579], '99:': [1484], '12461-12466Crossref': [1485], '(177)': [1488], 'Pharmacophore': [1491], 'predict': [1493], 'potent': [1498, 1577], '1)': [1503, 4268], 'usually': [1509], 'protonated': [1510], 'at': [1511, 1884, 1964, 1983, 2003, 2024, 2191, 2208, 2663, 2771, 3615, 4352], 'physiological': [1512], 'pH': [1513, 1942], '2)': [1515, 4270], 'centers': [1518], 'mass': [1520], '(centroids)': [1521], 'arranged': [1522], 'spatial': [1526], 'pattern': [1527], 'around': [1528], 'centrally': [1530], 'blockers,': [1579], 'centroids': [1581], 'groups.': [1584], 'others': [1587], 'postulated': [1589], 'π': [1591, 4452], '-stacking': [1592, 4453], 'groups': [1595, 2179], '15Lees-Miller': [1639], 'J.P.': [1640], 'Duan': [1641], 'Y.': [1642, 2577], 'Teng': [1643], 'G.Q.': [1644], 'Duff': [1645], 'H.J.': [1646], '57:': [1650], '367-374PubMed': [1651], 'because': [1656, 2687, 4304], 'contain': [1660, 4186], 'nitrogen,': [1663], 'been': [1666, 2555], 'interactions': [1670], 'might': [1675, 4440], 'channel.': [1685], 'study,': [1688], 'investigated': [1691], 'hypotheses': [1693], 'mutating': [1695, 2597], 'acids': [1703, 2206, 2313, 3192, 3655], 'determined': [1705, 1951, 2590, 2886, 3023, 3092, 3121, 3283, 3367, 3391, 3847], 'resulting': [1710], 'terfenadine.': [1719, 3711], 'quantitative': [1721, 4227], 'comparison': [1722], 'IC50': [1725, 3215, 3244, 3267, 3305, 3362, 3386, 3472, 3561, 3620, 3630, 4206], 'values': [1726, 2309, 2470, 3306, 3363, 3387, 3562, 3832, 3841, 3914, 4207, 4275], 'further': [1747, 3916], 'insights': [1748], 'Molecular': [1758, 2212], 'Biology—Point': [1759], 'subcloned': [1763], 'pSP64': [1766], 'plasmid': [1767], 'expression': [1768, 1829, 2867], 'vector': [1769], '(Promega,': [1770], 'Madison,': [1771], 'WI)': [1772], 'described': [1776, 1866, 3836], 'Constructs': [1802], 'confirmed': [1804], 'restriction': [1806], 'mapping': [1807], 'DNA': [1809], 'sequencing.': [1810], 'Complementary': [1811], 'RNAs': [1812], 'injection': [1814], 'prepared': [1818, 2060], 'SP6': [1820], 'Cap-Scribe': [1821], '(Roche': [1822], 'Applied': [1823], 'Science)': [1824], 'following': [1825], 'linearization': [1826], 'construct': [1830], 'EcoRI.': [1832], 'Oocytes': [1833, 1916], 'injected': [1835], '5–10': [1837], 'ng': [1838], 'cRNA': [1841, 1861], 'days': [1843], 'before': [1844, 2076], 'experiments.': [1849], 'Voltage': [1850], 'Clamp': [1851], 'Oocytes—Isolation': [1853], 'maintenance': [1855], 'laevis': [1858], 'injections': [1862], 'performed': [1864, 2093, 2181, 2324, 2485], '(16Sanguinetti': [1867], 'Xu': [1869], 'Q.P.': [1870], 'Physiol.': [1872], '(Lond.).': [1873], '1999;': [1874, 3981], '514:': [1875], '667-675Crossref': [1876], '(142)': [1878], 'Currents': [1881, 2631], 'recorded': [1883], 'room': [1885], 'temperature': [1886], '(22–24': [1887], '°C)': [1888], 'GeneClamp': [1891], '500': [1892], 'amplifier': [1893], '(Axon': [1894, 2101], 'Instruments,': [1895], 'Burlingame,': [1896], 'CA)': [1897], 'using': [1898, 2094, 2132, 2182, 2210, 2325, 2501, 3024, 3093, 3833], 'standard': [1899], 'two-microelectrode': [1900], 'techniques': [1903], '(17Stuhmer': [1904], 'W.': [1905], 'Methods': [1906], 'Enzymol.': [1907], '1992;': [1908], '207:': [1909], '319-339Crossref': [1910], '(262)': [1913], 'bathed': [1918], 'low': [1921], 'Cl–': [1922], 'solution': [1923, 2074], 'containing': [1924], '96': [1925], 'mm': [1926, 1929, 1932, 1935, 1938, 2063], 'NaMes,': [1927], 'KMes,': [1930], 'CaMes2,': [1933], '5': [1934, 4435], 'HEPES,': [1936], '1': [1937, 3151], 'MgCl2,': [1939], 'adjusted': [1940], '7.6': [1943], 'methanesulfonic': [1945], 'acid.': [1946], 'Current-voltage': [1947], '(I-V)': [1948], 'relationships': [1949, 2654, 3162, 3370, 3394, 3876], 'test': [1953, 2035, 3467], 'pulses': [1954, 1997, 2635, 2675, 3131], 'applied': [1955, 2001, 3132], 'voltages': [1957], 'ranging': [1958], '–60': [1960], '+50': [1962], 'mV,': [1963, 2000, 2033], 'frequency': [1966], '0.06': [1968], 'Hz': [1969, 2005], 'holding': [1973, 2008, 2642], '–90': [1976, 2011, 2645], 'mV.': [1977, 1985, 2012, 2787, 3136], 'Deactivating': [1978], '(tail)': [1979], 'currents': [1980, 1992, 2023, 2108, 2670], '–70': [1984], 'To': [1986], 'elicited': [1994, 2632], '5-s': [1996, 2029, 3130], '0': [1999, 2032, 3135, 3616], 'repetitively': [2002, 3133], '0.166': [2004], 'Drug-induced': [2013], 'assessed': [2018], 'measuring': [2020, 3123], 'outward': [2022], 'end': [2026, 2427], 'pulse': [2030], 'minimized': [2038], 'contribution': [2040], 'leak': [2042], 'endogenous': [2044], 'currents.': [2045], 'Cisapride': [2046], '(Research': [2047], 'Diagnostics': [2048], 'Inc.,': [2049, 2223], 'Flanders,': [2050], 'NJ),': [2051], 'terfenadine': [2052, 3298, 3375, 3399, 3497, 4261], '(Sigma),': [2053], 'MK-499': [2055, 3155, 3164, 3199, 3246, 3477, 3707, 4254, 4475], '(Merck': [2056], 'Research': [2057], 'Laboratories)': [2058], '10': [2062, 3153], 'stock': [2064], 'solutions': [2065], 'Me2SO': [2067], 'then': [2069], 'dissolved': [2070], 'external': [2073], 'immediately': [2075], 'obtain': [2079], 'desired': [2080], 'concentrations.': [2081], 'Data': [2082, 2162], 'Analysis—Analyses': [2083], 'kinetics': [2086, 2826, 2881], 'activation': [2089, 2131, 2569, 2717, 2755, 2770, 2828], 'deactivation': [2091, 2830], 'curve': [2095], 'fitting': [2096], 'routines': [2097], 'Clampfit': [2099], 'software': [2100, 2134, 2233, 2352], 'Instruments).': [2102], 'amplitudes': [2104], 'tail': [2107], 'fit': [2110, 2142, 3018, 3087, 4231, 4288], 'Boltzmann': [2113], 'function': [2114, 3643], 'estimate': [2116], '(V': [2119], '½)': [2120], 'slope': [2122, 2732], 'factor': [2123, 2733, 3206, 3272, 4182], '(k)': [2124, 2734], 'dependence': [2128, 2709, 2714, 2879, 3527, 3554, 3576], 'Origin': [2133], '(OriginLab,': [2135], 'Northampton,': [2136], 'MA).': [2137], 'Concentration': [2138], 'data': [2140, 2495, 3600, 3920, 4078, 4334], 'Hill': [2145, 2159, 3365, 3389], 'equation': [2146], 'concentration': [2151], '50%': [2154], 'inhibition': [2155], '(IC50)': [2156], 'coefficient': [2160, 2476], '(h).': [2161], 'presented': [2164, 3862], 'mean': [2166], '±': [2167, 2727, 2737, 2898, 2900, 2902, 2904, 2906, 2908, 2910, 2912, 2914, 2916, 2918, 2920, 2922, 2924, 2926, 2928, 2930, 2932, 2934, 2936, 2938, 2940, 2942, 2944, 2946, 2948, 2950, 2952, 2954, 2956, 2958, 2960, 2962, 2964, 2966, 2968, 2970, 2972, 2974, 2976, 2978, 2980, 2982, 2984, 2986, 2988, 2990, 2992, 2994, 2996, 2998, 3000, 3002, 3004, 3006, 3008, 3010, 3012, 3014, 3016, 3028, 3030, 3032, 3034, 3036, 3038, 3040, 3042, 3044, 3046, 3048, 3050, 3052, 3054, 3056, 3058, 3060, 3062, 3064, 3066, 3068, 3070, 3072, 3074, 3076, 3078, 3080, 3082, 3084], 'S.E.': [2168], '(n': [2169, 2740, 3594], '=': [2170, 2741, 3595, 4212, 4238], 'number': [2171, 4006, 4157], 'cells),': [2173], 'statistical': [2175, 4100], 'comparisons': [2176], 'experimental': [2178, 2426, 2466, 3805, 3819, 3913, 4205], "Student's": [2184], 't': [2185, 4103], 'test.': [2186], 'Differences': [2187], 'considered': [2189], 'significant': [2190, 2793], 'p': [2192, 4105], '<': [2193], '0.05.': [2194], 'Theoretical': [2195], 'descriptors': [2198, 2242, 2270, 2304, 2322, 2420, 2438, 3695, 3803, 3956, 4038], 'calculated': [2200, 3650, 3693, 3713, 3741, 3955], 'substituted': [2207, 2850, 3656], 'Operating': [2213, 2217], 'Environment,': [2214], 'MOE': [2215, 2226, 2478], '(Molecular': [2216], 'Environment': [2218], '2003,': [2219], 'Chemical': [2220, 2369], 'Computing': [2221], 'Group,': [2222], 'Montreal,': [2224], 'Quebec).': [2225], 'general': [2229], 'purpose': [2230], 'computational': [2231, 2410], 'chemistry': [2232], 'application': [2234], 'capable': [2235], 'calculating': [2237], '146': [2238, 2303], 'descriptors.': [2240], 'Two-dimensional': [2241], 'do': [2243, 3513], 'require': [2245], 'geometric': [2246], 'information': [2247], 'about': [2248], 'molecules': [2250], 'interest,': [2252], 'making': [2253], 'them': [2254], 'suitable': [2256], 'choice': [2257], 'modeling': [2259], 'fragments': [2263], 'macromolecular': [2265], 'structures.': [2266], 'Examples': [2267, 3137], 'include': [2271], 'atom,': [2272], 'bond,': [2273], 'fragment': [2275], 'counts,': [2276], 'graph': [2277], 'theoretical': [2278], 'connectivity': [2279], 'indices,': [2282], 'hydrophobicity': [2283, 3761, 3959, 4036, 4072, 4127, 4408], 'hydrophilicity': [2285], 'measures,': [2286, 2289, 4037], 'topological': [2287], 'charge': [2288], 'Waal': [2294], 'approximations': [2295], 'areas': [2298, 3750, 4048], 'volumes.': [2300], 'Of': [2301], 'calculated,': [2305], '115': [2306, 3692], 'had': [2307, 2721, 3346], 'non-zero': [2308], 'being': [2314, 2443], 'modeled.': [2315], 'search': [2317, 4143], 'predictive': [2319, 3773], 'subsets': [2320, 2418], 'simulated': [2327, 2481, 4137], 'annealing': [2328, 2393, 2482, 4138], 'feature': [2329, 4340], 'selection': [2330, 2408], 'algorithm': [2331, 2397, 2414, 4139], '(18Sutter': [2332], 'J.M.': [2333], 'Jurs': [2334, 2378], 'P.C.': [2335, 2355, 2379], 'Inf.': [2338, 2382, 3978], 'Comput.': [2339, 2383, 3979], '35:': [2342], '77-84Crossref': [2343], '(197)': [2345], 'included': [2348, 3950], 'ADAPT': [2351, 3834], 'package': [2353], '(19Jurs': [2354], 'Chou': [2356], 'J.T.': [2357], 'Yuan': [2358], 'Olsen': [2360], 'E.C.': [2361], 'Christoffersen': [2362], 'R.E.': [2363], 'Computer': [2364], 'Assisted': [2365], 'Design.': [2367], 'American': [2368], 'Society,': [2370], 'Washington,': [2371], 'C.1979:': [2373], '103-129Google': [2374], '20Stuper': [2376], '1976;': [2385], '99-105Crossref': [2387], '(74)': [2389], 'Simulated': [2392], 'optimization': [2396], 'found': [2400], 'widespread': [2401], 'variable': [2407, 2638], 'correlation': [2411, 2475, 2823, 3703, 3793, 3872, 3936], 'studies.': [2412], 'attempts': [2415], 'identify': [2417], 'best': [2422, 3717], 'correlate': [2423], 'point': [2428], 'interest.': [2430], 'cases,': [2433], 'relevance': [2436], 'selected': [2439], 'property': [2442], 'studied': [2444], 'observed.': [2446], 'optimal': [2448, 4145], 'descriptor': [2449, 3714, 4095], 'subset,': [2450], 'model,': [2452], 'which': [2457, 3782], 'minimizes': [2458], 'root-mean-square': [2460], 'error': [2461, 4211, 4237], 'log(fold-change': [2467], 'IC50)': [2469, 3823, 4169], 'possesses': [2472], 'highest': [2474, 3705], '(R2).': [2477], 'calculations': [2483], 'SGI': [2488], 'Octane': [2489], 'Work': [2491], 'station.': [2492], 'All': [2493], 'manipulation': [2498], 'done': [2500], 'Microsoft': [2502], 'Excel': [2503], 'under': [2504, 3837], 'Windows': [2506], '2000': [2507], 'operating': [2508], 'system.': [2509], 'Biophysical': [2510], 'Properties': [2511], 'Mutant': [2514], 'Channels—': [2516], 'conserved': [2525, 4368], 'hEAG': [2527], 'channels,': [2535, 2611, 2685, 4374], 'middle': [2547], 'produce': [2558], 'near': [2565, 2666], 'gating': [2570, 2883, 3239, 3556, 3929], '(21del': [2571], 'Camino': [2572], 'Holmgren': [2574], 'Liu': [2576], 'Yellen': [2578], '403:': [2582], '321-325Crossref': [2583], '(322)': [2586], 'biophysical': [2592, 2629, 4432], 'pharmacological': [2594], 'consequences': [2595], '12': [2600, 3288], 'Val.': [2606], 'Seven': [2607], 'produced': [2612], 'mutation': [2614, 2781, 3183, 3327, 3335, 3548], 'Val,': [2618, 4392], 'Ile,': [2619, 4395], 'Leu,': [2620, 3260, 3343], 'Met,': [2621, 3259, 3342], 'Thr,': [2622], 'Trp,': [2623, 4390], 'Tyr,': [2625], 'retained': [2626, 2704, 4426], 'normal': [2628, 2707, 4431], 'properties.': [2630], '2-s': [2634, 2674], 'mV': [2646, 2668, 2729, 2739, 2773, 3617], 'shown': [2648, 3157], 'Fig.': [2650, 3159, 3172, 3810, 3867], '2.': [2651], 'I-V': [2653, 2692], 'bell-shaped': [2660], 'peaked': [2662], '–10': [2667], 'activated': [2672, 3128], '2b).': [2677], 'similar': [2681], 'WT': [2683, 2719, 3142, 3633, 4483], 'rectification': [2689], 'relationship': [2693, 4230], 'results': [2694], 'inactivation,': [2697], 'indicate': [2699, 4335], 'inactivation.': [2711], '(V½)': [2724], '–17.8': [2726], '1.2': [2728], '7.8': [2736], '0.2': [2738], '5).': [2742], 'Most': [2743, 2788], 'minor': [2749], 'shifts': [2750], 'V½': [2753, 2784], '(all': [2756], 'within': [2757], '±8': [2758], 'mV)': [2759], 'changes': [2761, 2794], 'time': [2764], 'constant': [2765], 'onset': [2768], '–20': [2772], '(Table': [2774, 2818, 3279, 3332, 4299], 'I).': [2775, 2819, 4438], 'An': [2776], 'exception': [2777], 'F656W': [2780], 'shifted': [2783], '–25': [2786], 'rate': [2797], 'deactivation,': [2799], 'selectivity': [2802, 4428], 'based': [2806, 3828, 4322], 'upon': [2807], 'effects': [2811], 'reversal': [2813], 'There': [2820], 'no': [2822, 3349], 'parameters': [2833, 2892, 3660, 3700], 'such': [2834], 'non-polar': [2837, 3687, 3777], 'area,': [2839, 3673, 3689], 'volume': [2841], '(data': [2853], 'shown).': [2855, 3602], 'Mutation': [2856, 4459], 'Gly,': [2860, 3229, 3946], 'Ser,': [2861], 'Arg,': [2862, 3232, 3941, 3944], 'Glu': [2864], 'functional': [2866], 'disrupted': [2869, 3237], 'closure': [2870], '2c),': [2874], 'therefore,': [2876, 3465], 'channels.Table': [2890], 'IBiophysical': [2891], 'channelsHERG': [2896], 'channelActivationDeactivationErevNumberV½kττslowτfastArefmVmVmsmsmsmVnWT-17.8': [2897], '1.27.8': [2899], '0.21386': [2901], '94743': [2903], '39156': [2905], '80.30-105': [2907], '1.25F656W-43.3': [2909], '1.1**6.5': [2911], '0.4*409': [2913], '28**1145': [2915], '58**140': [2917], '50.16**-107': [2919], '1.66F656Y-23.8': [2921], '0.9**9.4': [2923], '0.4**877': [2925], '49**290': [2927], '14**60': [2929], '1**0.68**-105': [2931], '1.68F656M-21.5': [2933], '0.8*7.8': [2935], '0.41301': [2937], '44675': [2939], '55109': [2941], '4**0.40-106': [2943], '1.66F656L-14.8': [2945], '1.08.6': [2947], '0.71362': [2949], '95237': [2951], '11**63': [2953], '3**0.66**-105': [2955], '0.36F656I-11.6': [2957], '0.8**7.9': [2959], '0.41116': [2961], '57*144': [2963], '5**47': [2965], '2**0.83**-100': [2967], '2.15F656V-22.1': [2969], '1.1*6.6': [2971], '0.1**1020': [2973], '66**265': [2975], '13**93': [2977], '4**0.67**-111': [2979], '1.15F656T-23.0': [2981], '0.7**7.2': [2983], '0.41223': [2985], '44579': [2987], '24**120': [2989], '9**0.43*-107': [2991], '1.86Y652W-20.4': [2993], '0.78.2': [2995], '0.1940': [2997], '22**461': [2999], '34**77': [3001], '3**0.60**-102': [3003], '1.26Y652F-27.6': [3005], '0.7**10.1': [3007], '0.6**916': [3009], '19**622': [3011], '14**78': [3013], '2**0.30-104': [3015], '1.06Y652IaDeactivation': [3017], 'monoexponential': [3020, 3089], 'function;': [3021, 3090], 'Erev': [3022, 3091], '20': [3025, 3094], 'mM': [3026, 3095], '[K+]e.+7.3': [3027], '1.27**11.2': [3029], '0.2**574': [3031], '8.6**—6.1': [3033], '1.6**0.89**-41': [3035], '0.85Y652V-5.9': [3037], '0.2**7.9': [3039], '0.3555': [3041], '32**29': [3043], '1.2**13': [3045], '0.2**0.57**-106': [3047], '0.45Y652T-12': [3049], '0.8**8.5': [3051], '0.2931': [3053], '25**122': [3055], '4**38': [3057], '0.6**0.77**-103': [3059], '1.28Y652Q-3.6': [3061], '0.3**8.4': [3063], '0.2596': [3065], '17**40': [3067], '8.8**13': [3069], '1.0**0.80**-102': [3071], '0.95Y652E-9.5': [3073], '1.2**7.1': [3075], '0.2680': [3077], '38**99': [3079], '10**37': [3081], '6**0.57-103': [3083], '1.75a': [3085], 'Deactivation': [3086], '[K+]e.': [3096], 'Open': [3097, 3902], 'table': [3098, 3903], 'tab': [3102, 3907], 'Hydrophobicity': [3103], 'Residue': [3105, 4351], '656': [3106], 'Determines': [3107], 'Potency': [3108], 'Channel': [3111, 4359], 'Blockers—The': [3112], 'decrease': [3125], 'steady-state': [3139], 'five': [3144], 'achieved': [3149], 'μm': [3154], '3a.': [3160], 'Concentration-response': [3161], 'same': [3167], 'plotted': [3170], '3b.': [3173], 'As': [3174], 'expected,': [3175], 'if': [3176, 3918], 'aromaticity': [3177, 4347], 'sensitivity,': [3182], 'natural': [3189], 'Trp': [3193, 3321, 4193, 4465], 'only': [3200, 3248, 3311, 3524, 3546], 'slightly': [3201, 3312], '(IC50': [3202], 'increased': [3203, 3217, 3250, 3269, 3323], '1.8': [3208], '3.3,': [3210], 'respectively).': [3211], 'contrast,': [3213], 'over': [3219], '3': [3220, 4082], 'orders': [3221], 'magnitude': [3223], 'Glu,': [3230, 3945, 4393], '2c).': [3241], 'Unexpectedly,': [3242], 'moderately': [3249], 'non-aromatic': [3257], 'Ile.': [3262], '3.7,': [3274], '7.8,': [3275], '11,': [3277], 'respectively': [3278], 'II).': [3280, 3333], '3c)': [3296], '3b).': [3300], 'Similar': [3301], 'changed': [3313], 'Gly': [3329], 'Arg': [3331, 4295], 'Again,': [3334], 'little': [3347], 'terfenadine.Table': [3359], 'IISummary': [3360, 3384], 'coefficients': [3366, 3390, 3794, 3873, 3937], 'concentration-response': [3369, 3393], 'channelsTable': [3383], 'Block': [3408, 3583], 'some': [3412], 'chloroquine)': [3417], 'voltage-dependent': [3419, 3519], '(12Sanchez-Chapula': [3420], 'Scholar),': [3463, 3987], 'chosen': [3469, 3661], 'important.': [3475], '(22Spector': [3478], 'P.S.': [3479], 'Circ.': [3486, 3504], '1996;': [3488, 3506], '78:': [3489], '499-503Crossref': [3490], '(274)': [3493], '(23Roy': [3498], 'M.-L.': [3499], 'Dumaine': [3500], 'Brown': [3502], 'A.M.': [3503], '94:': [3507], '817-823Crossref': [3508], '(272)': [3510], 'manner,': [3520], 'exhibits': [3523], 'modest': [3525], '(24Potet': [3528], 'Bouyssou': [3530], 'Baro': [3534], '299:': [3541], '1007-1012PubMed': [3542], 'significantly': [3550, 3569, 3925, 4470], 'F656W;': [3558], 'however,': [3559, 4371], 'altered.': [3570], 'tested': [3573], 'F656T': [3580], 'F656M.': [3582], 'voltage-independent': [3585], 'both': [3587], '4–6': [3596], 'drug,': [3599], 'appropriate': [3606], 'measure': [3608], 'values.': [3621], 'logarithmic': [3623, 3720], 'value': [3624, 3852], '-fold': [3627, 3721], 'change': [3628, 3722, 3807, 3821, 4167, 4471], '(relative': [3631], 'hERG)': [3634], 'regressed': [3640], 'variety': [3646], 'physical': [3648, 3667, 3780], 'Phe-656.': [3658], 'regression': [3663, 3799, 4247, 4279], 'parameters,': [3668], 'free': [3674], 'energies': [3675], 'transfer': [3677], 'octanol': [3679], 'neutral': [3681], 'aqueous': [3682], 'solution,': [3683], 'buried': [3685], 'MOE.': [3697], 'investigated,': [3701], 'weakest': [3709], 'IC50,': [3724], 'compounds,': [3728], '(VHSA).': [3738], 'VHSA': [3739, 3757, 3831, 3851, 3911, 4016, 4089, 4153, 4215, 4250], 'summing': [3743], 'approximate': [3745], 'atoms': [3752, 4023, 4052], 'deemed': [3753], 'character.': [3756], 'accounts': [3758], 'sulfur': [3764], 'atom': [3765, 4191], 'Met': [3767], 'thus': [3770], 'superior': [3771, 4163], 'power': [3774], 'parameter,': [3781], 'does': [3783], 'take': [3785], 'account.': [3788], 'Table': [3789, 3952, 4284, 4437], 'III': [3790], 'summarizes': [3791], '(R2)': [3795, 3874], 'linear': [3798, 3871, 3989, 4246], 'plots': [3800], 'versus': [3804, 3818, 4204], 'log(fold': [3806, 3820, 4166], 'IC50).': [3809], '4': [3811], 'shows': [3812], 'plot': [3814, 4201], '"Experimental': [3838], 'Procedures."': [3839], 'Predicted': [3840], 'additional': [3843], 'inserting': [3849], 'equations': [3861, 4243], 'legend': [3865], '4.Table': [3868], 'IIISummary': [3869], 'channelsMK-499CisaprideTerfenadineAllNo': [3886], 'ArgNormal': [3887, 3889, 3891], 'gatingAllNo': [3888, 3890], 'gatingSide': [3892], 'area0.382*0.706†0.857†0.3020.591†0.726†0.2950.648†0.669*Non-polar': [3895], 'area0.846†0.870†0.743†0.747†0.763†0.585*0.698†0.728†0.509*Octanol': [3897], '→': [3898], 'water0.842†0.849†0.763†0.847†0.851†0.734†0.786†0.739†0.613*VHSA0.881†0.970†0.958†0.811†0.897†0.858†0.768†0.887†0.794†VHSA': [3899], '+': [3900, 4251], 'nN0.980†0.976†0.974†0.927†0.917†0.904†0.930†0.928†0.881†': [3901], 'correlations': [3909, 3962], 'improved': [3917], 'points': [3921], 'removed': [3931], 'analysis.': [3934], 'analyses': [3939, 4248, 4280], 'without': [3940, 3943], 'Ser': [3948], 'III.': [3953, 4285], 'Other': [3954], 'demonstrated': [3960], 'well,': [3964], 'Crippen': [3967, 3974], 'fragment-derived': [3968], 'logP': [3969, 3990, 4012, 4109], 'estimator': [3970, 3992], '(SlogP)': [3971], '(25Wildman': [3972], 'G.M.': [3975], '39:': [3982], '868-873Crossref': [3983], 'model': [3991], '(logP': [3993], '(octanol/water),': [3994], 'P.': [3996], 'Labute': [3997], 'MOE),': [3999], 'simple': [4002], 'count': [4003], 'atoms.': [4009, 4032], 'SlogP': [4010, 4107], '(octanol/water)': [4013, 4110], 'differ': [4014], 'account': [4020], 'residue,': [4026], 'rather': [4027], 'just': [4029], 'addition': [4034], 'encoding': [4039], 'sums': [4041], 'partially': [4050, 4054], 'positive': [4051], 'negative': [4055], 'atoms,': [4056, 4160], 'separately,': [4057], 'among': [4059], 'highly': [4062, 4068, 4093, 4118], 'metrics,': [4064], 'measures.': [4073], 'When': [4074], 'considering': [4075], 'full': [4077], 'set': [4079], '(i.e.': [4080, 4192], '13': [4086], 'acids),': [4088], 'possessed': [4097], 'significance': [4101], '(F-test,': [4102], 'test,': [4104], 'value).': [4106], 'second': [4114], 'third': [4116], 'descriptors,': [4120], 'respectively,': [4121], 'indicating': [4122], 'clear': [4124], 'consensus': [4125], 'driving': [4130], 'force': [4131], 'behind': [4132], 'observed': [4134], 'data.': [4135], 'two-descriptor': [4146], 'combination': [4151], 'nN,': [4155], 'predictor': [4164], 'compounds.': [4173], 'context,': [4176], 'nN': [4177, 4223, 4252], 'merely': [4179], 'correction': [4181], 'Arg).': [4195], 'example,': [4197], 'R2': [4198, 4233, 4274], '0.88': [4209], '(root-mean-square': [4210, 4236], '0.4)': [4213], 'sole': [4218], 'descriptor,': [4219], 'adding': [4221], 'term': [4224], 'structure': [4228], 'enhanced': [4232], '0.98': [4235], '0.163)': [4239], 'evaluating': [4249], '(Equation': [4255, 4258, 4262], '1),': [4256], '2),': [4259], '3)': [4263, 4272], 'follows.': [4266], 'y=3.674-0.0389*VHSA+0.446*nN(Eq.': [4267], 'y=2.762-0.033*VHSA+0.437*nN(Eq.': [4269], 'y=1.707-0.022*VHSA+0.357*nN(Eq.': [4271], 'obtained': [4276, 4292], 'listed': [4282], 'omitting': [4294], 'III,': [4300], 'No': [4301], 'Arg),': [4302], 'perhaps': [4303], 'repels': [4307], 'diminishes': [4315], 'even': [4318], 'expected': [4321], 'simply': [4323], 'chain.': [4331], 'volume,': [4345, 4404], 'se.': [4349], 'Aromatic': [4350], 'Position': [4353], '652': [4354], 'Required': [4355], 'Potent': [4357], 'Block—The': [4360], 'EAG;': [4370], '(Phe,': [4389], 'Ala,': [4391], 'Gln,': [4394], 'Thr)': [4396], 'changing': [4402], 'size,': [4405], 'polarity,': [4406], 'sensitivity.': [4415], 'Mutations': [4416], 'tolerated,': [4421], 'Drugs': [4439], 'interact': [4441], 'H-bonding': [4443], 'hydroxyl': [4446], 'via': [4449], 'phenol': [4456], 'Tyr-652.': [4458], 'did': [4468], '6,': [4477], 'b),': [4480], 'like': [4482]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W2006964534', 'counts_by_year': [{'year': 2024, 'cited_by_count': 1}, {'year': 2023, 'cited_by_count': 5}, {'year': 2022, 'cited_by_count': 8}, {'year': 2021, 'cited_by_count': 12}, {'year': 2020, 'cited_by_count': 7}, {'year': 2019, 'cited_by_count': 10}, {'year': 2018, 'cited_by_count': 8}, {'year': 2017, 'cited_by_count': 10}, {'year': 2016, 'cited_by_count': 13}, {'year': 2015, 'cited_by_count': 8}, {'year': 2014, 'cited_by_count': 12}, {'year': 2013, 'cited_by_count': 15}, {'year': 2012, 'cited_by_count': 18}], 'updated_date': '2024-12-30T16:36:19.456237', 'created_date': '2016-06-24'}