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'Krawetz,': [862], 'N.;': [863, 1200, 1451], 'Phillips,': [864], 'Shinozaki,': [866], 'Varadarajan,': [868], 'K.;': [869, 1202, 1306, 1469, 1924, 1994, 2040], 'Schulten,': [870, 883], 'K.': [871, 884, 1075, 1352, 1373, 1384, 1471], '1999,': [875, 1356, 1687, 1710, 1891, 1979, 2180, 2358], '151,': [876], '283.': [877], '9': [878], 'Humphrey,': [879], 'Dalke,': [881], 'Mol': [886, 902, 1236, 1323, 1508, 2219, 2252, 2453, 2469, 2483, 2509, 2554, 2612], 'Graphics': [887], '1996,': [888, 1377, 1659, 1700, 1739, 2165, 2232], '14,': [889, 1918, 2533], '33.': [890], '10': [891], 'Feig,': [892, 1907, 2061, 2193], 'Karanicolas,': [894, 2421], 'Brooks,': [897, 1734, 1909, 2065, 2203, 2423], 'L.,': [899, 1911, 2205], 'III.': [900, 999, 1912, 2206], 'Graph': [903, 2253, 2454, 2470], '2004,': [905, 1014, 1152, 1193, 1476, 1531, 1722, 1756, 1836, 1881, 1917, 1966, 1987, 2070, 2210, 2243, 2255, 2335, 2456], '22,': [906, 1228, 1781, 2256, 2457], '377.': [907], '11': [908], 'Macke,': [909], 'T.;': [910, 937, 983, 1059, 1523, 1621, 1640, 1869, 1875, 2461, 2490], 'In': [913, 1667], 'Nucleic': [917], 'Acids;': [918], 'N.': [919, 1984, 2518], 'Leontis;': [920], 'Santa': [922], 'Lucia,': [923], 'Eds.;': [924, 1680], 'American': [925, 1681], 'Chemical': [926], 'Society:': [927], 'Washington,': [928], 'DC,': [929], '1998,': [930, 964, 1446, 2099, 2301, 2556], '379.': [932], '12': [933], 'Crowley,': [934], 'Deerfield,': [941], 'D.,': [942], 'II.': [943], 'Supercomput': [945], '1997,': [946, 1301, 1388, 1767], '11,': [947, 2498], '255.': [948], '13': [949], 'Srinivasan,': [950, 992, 2169], 'E.,': [954, 998, 1127], 'Am': [961, 1036, 1065, 1092, 1174, 1473, 1859, 1952, 2083, 2264, 2298, 2318, 2623, 2637, 2649, 2674, 2686], 'Soc': [963, 1038, 1067, 1094, 1176, 1475, 1861, 1954, 2085, 2266, 2300, 2320, 2625, 2639, 2651, 2676, 2688], '120,': [965, 1532, 1837, 2071, 2302], '9401.': [966], '14': [967], 'Massova,': [970], 'I.;': [971, 1050, 1294], 'Reyes,': [972], 'C.;': [973, 1027, 1048, 1086, 1664, 1795, 1828, 1886, 2146, 2159, 2292, 2306, 2463, 2479, 2657], 'Kuhn,': [974], 'Huo,': [976], 'Chong,': [978], 'Lee,': [980, 982, 1394, 1641, 2197, 2307], 'Duan,': [984], 'Y.;': [985, 1273, 2093, 2352, 2363, 2375, 2390, 2399], 'Donini,': [988], 'Cieplak,': [990, 1045, 1771], 'Acc': [1000, 1256, 1353, 2179], 'Res': [1002, 1249, 1258, 1355], '2000,': [1003, 1227, 1238, 1415, 1462, 1542, 1803, 1903, 2139, 2321, 2370, 2383, 2590], '33,': [1004], '889.': [1005], '15': [1006], 'H.;': [1008, 1184, 1275, 1515, 1547, 1642, 2435, 2477, 2581, 2595], '25,': [1015, 1153, 1281, 1967, 2211], '238.': [1016], 'Singh,': [1024, 1329], 'U.;': [1025, 1330, 1634], 'Ghio,': [1026], 'Alagona,': [1028], 'Profeta,': [1030], '1984,': [1039, 1280, 2545], '106,': [1040], '765.': [1041], '17': [1042], 'Cornell,': [1043], 'Bayly,': [1047], 'Gould,': [1049], 'Merz,': [1051, 1351, 1372, 1383, 1409, 1470], 'K.,': [1052, 1410], 'Jr.;': [1053, 2343], 'Spellmeyer,': [1056], 'Fox,': [1058], '117,': [1069], '5179.': [1070], '18': [1071], 'García,': [1072, 1695], 'Sanbonmatsu,': [1074], 'Proc': [1076, 1309, 2412, 2425], 'Natl': [1077, 1310, 2413, 2426], 'Acad': [1078, 1311, 2414, 2427], 'Sci': [1079, 1312, 2415, 2428], 'USA': [1080, 1313, 2416, 2429], '2002,': [1081, 1095, 1163, 2022, 2112, 2565, 2689], '99,': [1082, 1219, 1567, 1892], '2782.': [1083], '19': [1084], 'Strockbine,': [1087, 1101], 'Roitberg,': [1089, 2271], '124,': [1096, 2690], '11258.': [1097], '20': [1098], 'Okur,': [1099], 'Hornak,': [1103, 2282, 2327], 'V.;': [1104, 1408, 1420, 2283, 2328], '2003,': [1110, 1121, 1177, 1209, 1366, 1815, 1862, 1939, 1955, 2057, 2287, 2404, 2417, 2430, 2442, 2485], '24,': [1111], '21.': [1112], '21': [1113], 'Ponder,': [1114, 1171, 1809, 1855], 'Adv': [1118], 'Protein': [1119], '66,': [1122, 1940], '27.': [1123], '22': [1124], 'Young,': [1129], 'Biopolymers': [1131, 1267, 1288, 2393], '(Nucleic': [1132], 'Acid': [1133], 'Sci)': [1134], '2001,': [1135, 1314, 1780, 2394, 2602, 2665, 2677], '56,': [1136, 1511], '232.': [1137], '23': [1138], 'Wolf,': [1141], '1157.': [1154], '24': [1155], 'Rick,': [1156], 'Stuart,': [1158], 'S.': [1159, 1204, 1255, 1266], 'Rev': [1160, 1342, 1598, 1890, 1900, 2520], '18,': [1164, 1269, 1768], '89.': [1165], '25': [1166], 'Grossfield,': [1167, 1851], 'Ren,': [1169, 1807, 1853], '125,': [1178, 1863, 1956], '15671.': [1179, 1864], '26': [1180], 'Kaminski,': [1181], 'Stern,': [1183], 'Berne,': [1185], 'Friesner,': [1187], 'R.': [1188, 1214, 1234, 1308, 1962, 2053, 2274, 2467, 2563, 2672, 2684], 'A': [1192, 1208, 1445, 1461], '108,': [1194, 1723, 1757, 2336], '621.': [1195], '27': [1196], 'Mannfors,': [1197], 'Mirkin,': [1199], 'Palmo,': [1201], 'Krimm,': [1203], '107,': [1210, 1389, 1816], '1825.': [1211], '28': [1212], '3832.': [1220], '29': [1221], 'Basma,': [1222], '1125.': [1229], 'Chappelle,': [1233], 'Struct': [1237, 1915, 2494], '527,': [1239], '149.': [1240], '31': [1241], 'Wolfe,': [1242, 1254], 'Whangbo,': [1244], 'M.-H.;': [1245], 'Mitchell,': [1246], 'Carbohydr': [1248], '1979,': [1250, 1268], '69,': [1251], '32': [1253], '1972,': [1259], '5,': [1260], '102.': [1261], '33': [1262], 'Marchessault,': [1263], 'Perez,': [1265], '2369.': [1270], '34': [1271], 'Nishida,': [1272], 'Ohrui,': [1274], 'Meguro,': [1276], 'H.': [1277, 2574], 'Tetrahedron': [1278], 'Lett': [1279, 2151, 2357], '1575.': [1282], '35': [1283], 'Kroon–Batenburg,': [1284], 'Krron,': [1286], '1990,': [1289, 2086, 2221, 2267], '29,': [1290], '1243.': [1291], '36': [1292], 'Tvaroska,': [1293], 'Carver,': [1295], 'B': [1300, 1721, 1755, 1814, 2138, 2334], '101,': [1302, 2181], '2992.': [1303], '37': [1304], 'Kirschner,': [1305], '98,': [1315, 1630, 1931], '10541.': [1316], '38': [1317], 'Warshel,': [1318], 'Levitt,': [1320], 'Biol': [1324, 1365, 1916, 2220, 2484, 2510, 2555, 2613], '1976,': [1325], '103,': [1326, 1400, 1649, 2641], '227.': [1327], '39': [1328], '1986,': [1336, 1601], '7,': [1337, 1346, 1367], '718.': [1338], '40': [1339], 'Gao,': [1340, 1436], '119.': [1347], '41': [1348], 'Monard,': [1349], '32,': [1357], '904.': [1358], '42': [1359], 'Ryde,': [1360], 'U.': [1361, 2451], 'Curr': [1362, 1913], 'Opin': [1363, 1914], '136.': [1368], '43': [1369], 'Dixon,': [1370, 1381, 1760], '104,': [1378, 1463, 2140, 2627], '6643.': [1379], '44': [1380], '879.': [1390], '45': [1391], 'Yang,': [1392, 1995], '5674.': [1401], '46': [1402], 'van': [1403, 2505, 2584, 2598, 2608], 'der': [1404], 'Vaart,': [1405], 'Gogonea,': [1407], '21,': [1416], '1494.': [1417], '47': [1418], 'Théry,': [1419], 'Rinaldi,': [1421], 'Rivail,': [1423], 'Maigret,': [1425, 1454], 'Ferenczy,': [1427], 'G.': [1428, 1678], '1994,': [1432, 1930, 2614], '15,': [1433], '269.': [1434], '48': [1435], 'Amara,': [1438], 'Field,': [1440], '102,': [1447], '4714.': [1448], '49': [1449], 'Reuter,': [1450], 'Dejaegere,': [1452], 'Karplus,': [1456, 2227, 2261, 2491, 2527, 2538, 2632], '1720.': [1464], '50': [1465], 'Raha,': [1468], '126,': [1477], '11430.': [1478], '51': [1479], 'Jorgensen,': [1480, 1489, 1504, 1537], 'W.': [1481, 1538, 1785, 1857, 1975, 2411, 2507, 2586, 2600, 2610, 2661], '1982,': [1485, 1789, 2626], '77,': [1486], '4156.': [1487], '52': [1488], 'Chandrasekhar,': [1491], 'Madura,': [1493, 1506, 1520], 'Klein,': [1495], '1983,': [1500, 2347], '79,': [1501], '926.': [1502], '53': [1503], '1985,': [1510], '1381.': [1512], '54': [1513], 'Horn,': [1514], 'Swope,': [1516, 2410], 'Pitera,': [1518, 2408], 'Dick,': [1522], 'Hura,': [1524], 'Head–Gordon,': [1526], '9665.': [1533], '55': [1534], 'Mahoney,': [1535], '112,': [1543, 2087, 2268], '8910.': [1544], '56': [1545], 'Berendsen,': [1546, 2573], 'Grigera,': [1548], 'Straatsma,': [1550], '1987,': [1555], '6269.': [1557], '57': [1558], '6208.': [1568], '58': [1569], 'Hockney,': [1570], 'Eastwood,': [1572], 'Using': [1576], 'Particles;': [1577], 'McGraw–Hill:': [1578], '1981.': [1581], '59': [1582], 'Ewald,': [1583], 'Ann': [1585], '1921,': [1587], '64,': [1588, 2190], '253.': [1589], '60': [1590], 'DeLeeuw,': [1591], 'Perram,': [1593], 'Smith,': [1595, 1784, 2606], 'Annu': [1597, 1899, 2519], '37,': [1602], '245.': [1603], '61': [1604], 'Kittel,': [1605], 'Introduction': [1607], 'Solid': [1609], 'Physics;': [1611], '1986.': [1618], '62': [1619], 'Pedersen,': [1624, 1643, 1829], 'L.': [1625, 1644, 1676], '1993,': [1629, 2000, 2576], '10089.': [1631], '63': [1632], 'Essmann,': [1633], 'Perera,': [1635], 'Berkowitz,': [1637], '8577.': [1650], '64': [1651], 'Pollock,': [1652], 'E.;': [1653, 1948, 1960], 'Glosli,': [1654], '95,': [1660, 2279], '93.': [1661], '65': [1662], 'Sagui,': [1663, 1794, 1827, 1876], 'Theory': [1670], 'Electrostatic': [1672], 'Interactions': [1673], 'Solution;': [1675], 'Pratt;': [1677], 'Hummer,': [1679, 1691], 'Physics:': [1684], 'Melville,': [1685], 'NY,': [1686], '104.': [1689], '66': [1690], 'Pratt,': [1693], '100,': [1701, 1740, 2166, 2233, 2418, 2431], '1206.': [1702], '67': [1703], 'Hünenberger,': [1704, 2501], 'McCammon,': [1706, 2028], 'Biophys': [1708, 2402, 2440], '78,': [1711], '69.': [1712], '68': [1713], 'Kastenholz,': [1714], 'Hunenberger,': [1716], '774.': [1724], '69': [1725], 'Feller,': [1726], 'Pastor,': [1728], 'Rojnuckarin,': [1730], 'Bogusz,': [1732], '17011.': [1741], '70': [1742], 'Patra,': [1743], 'Karttunen,': [1745], 'Hyvonen,': [1748], 'Falck,': [1750], '4485.': [1758], '71': [1759], '1632.': [1769], '72': [1770], '1048.': [1782], '73': [1783], 'CCP5': [1786], 'Inform': [1787], 'Q': [1788], '4.': [1790], '74': [1791], 'Toukmaji,': [1792], 'Board,': [1796], '113,': [1804, 2384, 2591], '10913.': [1805], '75': [1806], '5933.': [1817], '76': [1818], 'Thole,': [1819], '59,': [1824], '341.': [1825], '77': [1826], '73.': [1838], '78': [1839], 'McMurchie,': [1840], 'Davidson,': [1842], '1978,': [1847], '218.': [1849], '79': [1850], '80': [1865], 'Baucom,': [1866], 'Transue,': [1868], 'Fuentes–Cabrera,': [1870], 'Krahn,': [1872], '121,': [1882], '6998.': [1883], '81': [1884], 'Truhlar,': [1887, 2147, 2160], '2161.': [1893], '82': [1894], 'Bashford,': [1895, 2107, 2131, 2238], '51,': [1904, 2288], '129.': [1905], '83': [1906], '217.': [1919, 1981], '84': [1920], 'Sitkoff,': [1921], 'Sharp,': [1923, 1993, 2039], 'Honig,': [1925, 1991, 2004, 2041], '1978.': [1932], '85': [1933], 'Simonson,': [1934], 'Rep': [1936], 'Prog': [1937, 2366], '737.': [1941], '86': [1942], 'Levy,': [1943, 1961, 2536, 2630], 'Zhang,': [1945], 'Gallicchio,': [1947, 1959], 'Felts,': [1949], '9523.': [1957], '87': [1958], '479.': [1968], '88': [1969], 'Weiser,': [1970], 'Shenkin,': [1972], 'Still,': [1974, 2074], '20,': [1980, 2666], '89': [1982], 'Baker,': [1983], 'Methods': [1985], 'Enzymol': [1986], '383,': [1988], '94.': [1989], '90': [1990], 'A.-S.': [1996], '97,': [2001], '1101.': [2002], '91': [2003], 'Nicholls,': [2006], '268,': [2010], '1144.': [2011], '92': [2012], 'David,': [2015], 'Gilson,': [2017, 2037], '23,': [2023, 2113], '1244.': [2024], '93': [2025], 'Davis,': [2026], '1991,': [2033, 2278, 2497], '12,': [2034], '909.': [2035], '94': [2036], '1988,': [2046, 2471], '327.': [2048], '95': [2049], 'Lu,': [2050], 'Q.;': [2051], '119,': [2058], '11035.': [2059], '96': [2060], 'Im,': [2063, 2199], '903.': [2072], '97': [2073], 'Tempczyk,': [2076], 'Hawley,': [2078], 'Hendrickson,': [2080], '6127.': [2088], '98': [2089], 'Jayaram,': [2090], 'Liu,': [2092], 'Beveridge,': [2094], '109,': [2100], '1465.': [2101], '99': [2102], '1297.': [2114], '100': [2115], 'Sigalov,': [2116], 'Scheffe,': [2118], '2005,': [2125], '122,': [2126, 2322], '094511.': [2127], '101': [2128], '3712.': [2141], '102': [2142], 'Hawkins,': [2143, 2156], '246,': [2153], '122.': [2154], '103': [2155], '19824.': [2167], '104': [2168], 'Trevathan,': [2171], 'Beroza,': [2173], 'Theor': [2177, 2367], '426.': [2182, 2337], '105': [2183], 'Bondi,': [2184], '1964,': [2189], '441.': [2191], '106': [2192], '265.': [2212], '107': [2213], 'Schaefer,': [2214, 2225], 'Froemmel,': [2216], '216,': [2222], '1045.': [2223], '108': [2224], '1578.': [2234], '109': [2235], 'Proteins': [2242, 2286, 2493, 2564, 2575, 2601], '55,': [2244], '383.': [2245], '110Roitberg,': [2246], 'C.,': [2249, 2342], 'Eds.': [2250], '317.': [2257], '111': [2258], 'Elber,': [2259, 2273], '9161.': [2269], '112': [2270], '9277.': [2280], '113': [2281], '577.': [2289], '114': [2290], 'Miller,': [2293], '7149.': [2303], '115': [2304], 'Ortiz,': [2309], 'Kolinski,': [2311], 'Skolnick,': [2313], '8392.': [2323], '116': [2324], 'Cheng,': [2325], 'X.;': [2326, 2597, 2659], '117': [2338], 'Kirkpatrick,': [2339], 'Gelatt,': [2341], 'Vecchi,': [2344], '220,': [2348], '671.': [2349], '118': [2350], 'Sugita,': [2351, 2362, 2374, 2389], 'Okamoto,': [2353, 2364, 2378, 2391], 'Y.': [2354, 2365, 2379, 2392], '314,': [2359], '141.': [2360], '119': [2361], 'Suppl': [2369], '138,': [2371], '402.': [2372], '120': [2373], 'Kitao,': [2376], '6042.': [2385], '121': [2386], 'Mitsutake,': [2387], '60,': [2395], '96.': [2396], '122': [2397], 'Rhee,': [2398], 'Pande,': [2400], 'V.': [2401], '84,': [2405, 2443], '775.': [2406], '123': [2407], '7587.': [2419], '124': [2420], '3954.': [2432], '125': [2433], 'Nymeyer,': [2434], 'Garcia,': [2436], 'Woolf,': [2438], '381A.': [2444], '126': [2445], 'Kinnear,': [2446], 'Jarrold,': [2448], 'Hansmann,': [2450], '397.': [2458], '127': [2459], 'Ferrin,': [2460], 'Huang,': [2462], 'Jarvis,': [2464], 'Langridge,': [2466], '6,': [2472], '13,': [2473], '36.': [2474], '128': [2475], 'Kiel,': [2478], '330,': [2486], '891.': [2487], '129': [2488], 'Ichiye,': [2489], 'Funct': [2495], 'Genet': [2496], '205.': [2499], '130': [2500], 'Mark,': [2503, 2582], 'Gunsteren,': [2506, 2585, 2599, 2609], '252,': [2512], '492.': [2513], '131': [2514], 'Hayward,': [2515], 'Go,': [2517], '46,': [2524, 2566], '223.': [2525], '132': [2526], 'Kushick,': [2529, 2540], 'Macromolecules': [2531, 2544], '325.': [2534], '133': [2535], 'Perahia,': [2542], '17,': [2546, 2577], '1370.': [2547], '134': [2548], 'Abseher,': [2549], 'Nilges,': [2551], '279,': [2557], '911.': [2558], '135': [2559], 'Prompers,': [2560, 2669, 2681], 'Brüschweiler,': [2562, 2671, 2683], '177.': [2567], '136': [2568], 'Amadei,': [2569], 'Linssen,': [2571], '412.': [2578], '137': [2579], 'Schäfer,': [2580], '7809.': [2592], '138': [2593], 'Schafer,': [2594], 'Daura,': [2596, 2658], '43,': [2603], '45.': [2604], '139': [2605], '236,': [2615], '629.': [2616], '140': [2617], 'Lipari,': [2618], 'Szabo,': [2620], '4546.': [2628], '141': [2629], 'Wolynes,': [2634], '5998.': [2642], '142': [2643], 'Palmer,': [2644], '1992,': [2652], '114,': [2653], '9059.': [2654], '143': [2655], 'Peter,': [2656], 'vanGunsteren,': [2660], 'Biomol': [2663], 'NMR': [2664], '297.': [2667], '144': [2668], '123,': [2678], '7305.': [2679], '145': [2680], '4522.': [2691], 'Citing': [2692], 'Literature': [2693], 'Volume26,': [2694], 'Issue16December': [2695], '2005Pages': [2696], 'ReferencesRelatedInformation': [2698]}, 'cited_by_api_url': 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