Get quick answers to your questions about the article from our AI researcher chatbot
{'id': 'https://openalex.org/W3164888202', 'doi': 'https://doi.org/10.1021/acs.jpclett.1c01253', 'title': 'Allosteric Type and Pathways Are Governed by the Forces of Protein–Ligand Binding', 'display_name': 'Allosteric Type and Pathways Are Governed by the Forces of Protein–Ligand Binding', 'publication_year': 2021, 'publication_date': '2021-06-03', 'ids': {'openalex': 'https://openalex.org/W3164888202', 'doi': 'https://doi.org/10.1021/acs.jpclett.1c01253', 'mag': '3164888202', 'pmid': 'https://pubmed.ncbi.nlm.nih.gov/34080881'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.1021/acs.jpclett.1c01253', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S123480357', 'display_name': 'The Journal of Physical Chemistry Letters', 'issn_l': '1948-7185', 'issn': ['1948-7185'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320006', 'host_organization_name': 'American Chemical Society', 'host_organization_lineage': ['https://openalex.org/P4310320006'], 'host_organization_lineage_names': ['American Chemical Society'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, 'type': 'article', 'type_crossref': 'journal-article', 'indexed_in': ['crossref'], 'open_access': {'is_oa': False, 'oa_status': 'closed', 'oa_url': None, 'any_repository_has_fulltext': False}, 'authorships': [{'author_position': 'first', 'author': {'id': 'https://openalex.org/A5055586473', 'display_name': 'Qiaojing Huang', 'orcid': 'https://orcid.org/0000-0002-8303-5879'}, 'institutions': [{'id': 'https://openalex.org/I4210116048', 'display_name': 'Beijing National Laboratory for Molecular Sciences', 'ror': 'https://ror.org/02601yx74', 'country_code': 'CN', 'type': 'facility', 'lineage': ['https://openalex.org/I4210116048']}, {'id': 'https://openalex.org/I20231570', 'display_name': 'Peking University', 'ror': 'https://ror.org/02v51f717', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I20231570']}], 'countries': ['CN'], 'is_corresponding': False, 'raw_author_name': 'Qiaojing Huang', 'raw_affiliation_strings': ['Beijing National Laboratory for Molecular Sciences (BNLMS), State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China'], 'affiliations': [{'raw_affiliation_string': 'Beijing National Laboratory for Molecular Sciences (BNLMS), State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China', 'institution_ids': ['https://openalex.org/I4210116048', 'https://openalex.org/I20231570']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5071547123', 'display_name': 'Pengbo Song', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I4210116048', 'display_name': 'Beijing National Laboratory for Molecular Sciences', 'ror': 'https://ror.org/02601yx74', 'country_code': 'CN', 'type': 'facility', 'lineage': ['https://openalex.org/I4210116048']}, {'id': 'https://openalex.org/I20231570', 'display_name': 'Peking University', 'ror': 'https://ror.org/02v51f717', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I20231570']}], 'countries': ['CN'], 'is_corresponding': False, 'raw_author_name': 'Pengbo Song', 'raw_affiliation_strings': ['Beijing National Laboratory for Molecular Sciences (BNLMS), State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China'], 'affiliations': [{'raw_affiliation_string': 'Beijing National Laboratory for Molecular Sciences (BNLMS), State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China', 'institution_ids': ['https://openalex.org/I4210116048', 'https://openalex.org/I20231570']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5100393446', 'display_name': 'Yixin Chen', 'orcid': 'https://orcid.org/0000-0002-3710-7114'}, 'institutions': [{'id': 'https://openalex.org/I4210116048', 'display_name': 'Beijing National Laboratory for Molecular Sciences', 'ror': 'https://ror.org/02601yx74', 'country_code': 'CN', 'type': 'facility', 'lineage': ['https://openalex.org/I4210116048']}, {'id': 'https://openalex.org/I20231570', 'display_name': 'Peking University', 'ror': 'https://ror.org/02v51f717', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I20231570']}], 'countries': ['CN'], 'is_corresponding': False, 'raw_author_name': 'Yixin Chen', 'raw_affiliation_strings': ['Beijing National Laboratory for Molecular Sciences (BNLMS), State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China'], 'affiliations': [{'raw_affiliation_string': 'Beijing National Laboratory for Molecular Sciences (BNLMS), State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China', 'institution_ids': ['https://openalex.org/I4210116048', 'https://openalex.org/I20231570']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5080579774', 'display_name': 'Zhirong Liu', 'orcid': 'https://orcid.org/0000-0001-5070-8048'}, 'institutions': [{'id': 'https://openalex.org/I20231570', 'display_name': 'Peking University', 'ror': 'https://ror.org/02v51f717', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I20231570']}, {'id': 'https://openalex.org/I4210116048', 'display_name': 'Beijing National Laboratory for Molecular Sciences', 'ror': 'https://ror.org/02601yx74', 'country_code': 'CN', 'type': 'facility', 'lineage': ['https://openalex.org/I4210116048']}], 'countries': ['CN'], 'is_corresponding': True, 'raw_author_name': 'Zhirong Liu', 'raw_affiliation_strings': ['Beijing National Laboratory for Molecular Sciences (BNLMS), State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China'], 'affiliations': [{'raw_affiliation_string': 'Beijing National Laboratory for Molecular Sciences (BNLMS), State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China', 'institution_ids': ['https://openalex.org/I20231570', 'https://openalex.org/I4210116048']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5064049271', 'display_name': 'Luhua Lai', 'orcid': 'https://orcid.org/0000-0002-8343-7587'}, 'institutions': [{'id': 'https://openalex.org/I4210116048', 'display_name': 'Beijing National Laboratory for Molecular Sciences', 'ror': 'https://ror.org/02601yx74', 'country_code': 'CN', 'type': 'facility', 'lineage': ['https://openalex.org/I4210116048']}, {'id': 'https://openalex.org/I20231570', 'display_name': 'Peking University', 'ror': 'https://ror.org/02v51f717', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I20231570']}, {'id': 'https://openalex.org/I4210160507', 'display_name': 'Center for Life Sciences', 'ror': 'https://ror.org/05kje8j93', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I20231570', 'https://openalex.org/I4210160507', 'https://openalex.org/I99065089']}], 'countries': ['CN'], 'is_corresponding': True, 'raw_author_name': 'Luhua Lai', 'raw_affiliation_strings': ['Beijing National Laboratory for Molecular Sciences (BNLMS), State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China', 'Center for Quantitative Biology, Peking University, Beijing 100871, China', 'Peking-Tsinghua Center for Life Sciences, Peking University, Beijing, 100871, China'], 'affiliations': [{'raw_affiliation_string': 'Beijing National Laboratory for Molecular Sciences (BNLMS), State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China', 'institution_ids': ['https://openalex.org/I4210116048', 'https://openalex.org/I20231570']}, {'raw_affiliation_string': 'Center for Quantitative Biology, Peking University, Beijing 100871, China', 'institution_ids': ['https://openalex.org/I20231570']}, {'raw_affiliation_string': 'Peking-Tsinghua Center for Life Sciences, Peking University, Beijing, 100871, China', 'institution_ids': ['https://openalex.org/I4210160507', 'https://openalex.org/I20231570']}]}], 'countries_distinct_count': 1, 'institutions_distinct_count': 3, 'corresponding_author_ids': ['https://openalex.org/A5080579774', 'https://openalex.org/A5064049271'], 'corresponding_institution_ids': ['https://openalex.org/I20231570', 'https://openalex.org/I4210116048', 'https://openalex.org/I4210116048', 'https://openalex.org/I20231570', 'https://openalex.org/I4210160507'], 'apc_list': None, 'apc_paid': None, 'fwci': 3.274, 'has_fulltext': False, 'cited_by_count': 21, 'citation_normalized_percentile': {'value': 0.999886, 'is_in_top_1_percent': True, 'is_in_top_10_percent': True}, 'cited_by_percentile_year': {'min': 94, 'max': 95}, 'biblio': {'volume': '12', 'issue': '22', 'first_page': '5404', 'last_page': '5412'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T10211', 'display_name': 'Computational Methods in Drug Discovery', 'score': 0.9993, 'subfield': {'id': 'https://openalex.org/subfields/1703', 'display_name': 'Computational Theory and Mathematics'}, 'field': {'id': 'https://openalex.org/fields/17', 'display_name': 'Computer Science'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}, 'topics': [{'id': 'https://openalex.org/T10211', 'display_name': 'Computational Methods in Drug Discovery', 'score': 0.9993, 'subfield': {'id': 'https://openalex.org/subfields/1703', 'display_name': 'Computational Theory and Mathematics'}, 'field': {'id': 'https://openalex.org/fields/17', 'display_name': 'Computer Science'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}, {'id': 'https://openalex.org/T11884', 'display_name': 'Redox Signaling and Oxidative Stress', 'score': 0.9984, 'subfield': {'id': 'https://openalex.org/subfields/1312', 'display_name': 'Molecular Biology'}, 'field': {'id': 'https://openalex.org/fields/13', 'display_name': 'Biochemistry, Genetics and Molecular Biology'}, 'domain': {'id': 'https://openalex.org/domains/1', 'display_name': 'Life Sciences'}}, {'id': 'https://openalex.org/T13013', 'display_name': 'Predicting Antioxidant Activity of Phenolic Compounds', 'score': 0.9946, 'subfield': {'id': 'https://openalex.org/subfields/1605', 'display_name': 'Organic Chemistry'}, 'field': {'id': 'https://openalex.org/fields/16', 'display_name': 'Chemistry'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}], 'keywords': [{'id': 'https://openalex.org/keywords/allosteric-enzyme', 'display_name': 'Allosteric enzyme', 'score': 0.835496}, {'id': 'https://openalex.org/keywords/drug-target-identification', 'display_name': 'Drug Target Identification', 'score': 0.460498}], 'concepts': [{'id': 'https://openalex.org/C166342909', 'wikidata': 'https://www.wikidata.org/wiki/Q845326', 'display_name': 'Allosteric regulation', 'level': 3, 'score': 0.9897573}, {'id': 'https://openalex.org/C109964505', 'wikidata': 'https://www.wikidata.org/wiki/Q3321436', 'display_name': 'Allosteric enzyme', 'level': 4, 'score': 0.835496}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.50606745}, {'id': 'https://openalex.org/C14036430', 'wikidata': 'https://www.wikidata.org/wiki/Q3736076', 'display_name': 'Function (biology)', 'level': 2, 'score': 0.46836627}, {'id': 'https://openalex.org/C116569031', 'wikidata': 'https://www.wikidata.org/wiki/Q899107', 'display_name': 'Ligand (biochemistry)', 'level': 3, 'score': 0.4470576}, {'id': 'https://openalex.org/C12554922', 'wikidata': 'https://www.wikidata.org/wiki/Q7100', 'display_name': 'Biophysics', 'level': 1, 'score': 0.3269531}, {'id': 'https://openalex.org/C55493867', 'wikidata': 'https://www.wikidata.org/wiki/Q7094', 'display_name': 'Biochemistry', 'level': 1, 'score': 0.24486136}, {'id': 'https://openalex.org/C86803240', 'wikidata': 'https://www.wikidata.org/wiki/Q420', 'display_name': 'Biology', 'level': 0, 'score': 0.23497707}, {'id': 'https://openalex.org/C95444343', 'wikidata': 'https://www.wikidata.org/wiki/Q7141', 'display_name': 'Cell biology', 'level': 1, 'score': 0.1521577}, {'id': 'https://openalex.org/C181199279', 'wikidata': 'https://www.wikidata.org/wiki/Q8047', 'display_name': 'Enzyme', 'level': 2, 'score': 0.15040255}, {'id': 'https://openalex.org/C170493617', 'wikidata': 'https://www.wikidata.org/wiki/Q208467', 'display_name': 'Receptor', 'level': 2, 'score': 0.13805217}], 'mesh': [], 'locations_count': 1, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.1021/acs.jpclett.1c01253', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S123480357', 'display_name': 'The Journal of Physical Chemistry Letters', 'issn_l': '1948-7185', 'issn': ['1948-7185'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320006', 'host_organization_name': 'American Chemical Society', 'host_organization_lineage': ['https://openalex.org/P4310320006'], 'host_organization_lineage_names': ['American Chemical Society'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}], 'best_oa_location': None, 'sustainable_development_goals': [], 'grants': [{'funder': 'https://openalex.org/F4320321001', 'funder_display_name': 'National Natural Science Foundation of China', 'award_id': '21633001'}, {'funder': 'https://openalex.org/F4320329860', 'funder_display_name': 'National Science and Technology Major Project', 'award_id': '2016YFA0502303'}], 'datasets': [], 'versions': [], 'referenced_works_count': 63, 'referenced_works': ['https://openalex.org/W135027921', 'https://openalex.org/W1771087982', 'https://openalex.org/W1908759766', 'https://openalex.org/W1964439982', 'https://openalex.org/W1975757940', 'https://openalex.org/W1984066565', 'https://openalex.org/W1987774535', 'https://openalex.org/W1998093640', 'https://openalex.org/W2002490399', 'https://openalex.org/W2005392755', 'https://openalex.org/W2019619651', 'https://openalex.org/W2028717691', 'https://openalex.org/W2035689996', 'https://openalex.org/W2041205020', 'https://openalex.org/W2048934130', 'https://openalex.org/W2055560422', 'https://openalex.org/W2066800748', 'https://openalex.org/W2070447276', 'https://openalex.org/W2073746700', 'https://openalex.org/W2077404364', 'https://openalex.org/W2082972773', 'https://openalex.org/W2091893155', 'https://openalex.org/W2093784567', 'https://openalex.org/W2096718356', 'https://openalex.org/W2102377211', 'https://openalex.org/W2103388411', 'https://openalex.org/W2105787609', 'https://openalex.org/W2113994268', 'https://openalex.org/W2115481724', 'https://openalex.org/W2116993067', 'https://openalex.org/W2120018317', 'https://openalex.org/W2124676068', 'https://openalex.org/W2125402895', 'https://openalex.org/W2131590438', 'https://openalex.org/W2150403556', 'https://openalex.org/W2159578281', 'https://openalex.org/W2165810843', 'https://openalex.org/W2176487670', 'https://openalex.org/W2283716387', 'https://openalex.org/W2327883350', 'https://openalex.org/W2396663079', 'https://openalex.org/W2485975781', 'https://openalex.org/W2512708954', 'https://openalex.org/W2516773138', 'https://openalex.org/W2519253539', 'https://openalex.org/W2564456364', 'https://openalex.org/W2592980396', 'https://openalex.org/W2735765072', 'https://openalex.org/W2744309759', 'https://openalex.org/W2767447785', 'https://openalex.org/W2799633991', 'https://openalex.org/W2802974816', 'https://openalex.org/W2884273649', 'https://openalex.org/W2894994217', 'https://openalex.org/W2897841645', 'https://openalex.org/W2911329269', 'https://openalex.org/W2911398658', 'https://openalex.org/W2912715350', 'https://openalex.org/W2914798429', 'https://openalex.org/W2979395622', 'https://openalex.org/W3007133919', 'https://openalex.org/W3087100296', 'https://openalex.org/W3172047336'], 'related_works': ['https://openalex.org/W4231759675', 'https://openalex.org/W4220959342', 'https://openalex.org/W3164888202', 'https://openalex.org/W2751232480', 'https://openalex.org/W2463850709', 'https://openalex.org/W2333603516', 'https://openalex.org/W2088091011', 'https://openalex.org/W2049682677', 'https://openalex.org/W2034301964', 'https://openalex.org/W1982170406'], 'abstract_inverted_index': {'Allostery': [0], 'is': [1, 24], 'central': [2], 'to': [3, 26, 59, 105, 111, 127], 'many': [4], 'cellular': [5], 'processes,': [6], 'by': [7, 52, 56], 'up-': [8], 'or': [9, 34], 'down-regulating': [10], 'target': [11, 36, 60], 'function.': [12], 'However,': [13], 'what': [14], 'determines': [15], 'the': [16, 29, 44, 53, 63, 80, 85, 129, 133], 'allosteric': [17, 30, 45, 48, 70, 82, 99, 107, 130, 136, 145, 149], 'type': [18, 46, 71, 131], 'remains': [19], 'elusive': [20], 'and': [21, 47, 67, 92, 147], 'currently': [22], 'it': [23], 'impossible': [25], 'predict': [27, 128], 'whether': [28], 'compounds': [31], 'would': [32], 'activate': [33], 'inhibit': [35], 'function': [37], 'before': [38], 'experimental': [39], 'studies.': [40], 'We': [41], 'demonstrated': [42], 'that': [43], 'pathways': [49], 'are': [50], 'governed': [51], 'forces': [54], 'imposed': [55], 'ligand': [57], 'binding': [58], 'protein': [61, 91, 116], 'using': [62], 'anisotropic': [64], 'network': [65], 'model': [66], 'developed': [68], 'an': [69], 'prediction': [72], 'method': [73], '(AlloType).': [74], 'AlloType': [75, 122], 'correctly': [76], 'predicted': [77], '13': [78], 'of': [79, 132], '16': [81], 'systems': [83], 'in': [84, 142], 'data': [86], 'set': [87], 'with': [88, 117], 'experimentally': [89], 'determined': [90], 'complex': [93, 119], 'structures': [94], 'as': [95, 97], 'well': [96], 'verified': [98], 'types,': [100], 'which': [101], 'was': [102], 'also': [103], 'used': [104], 'identify': [106], 'pathways.': [108], 'When': [109], 'applied': [110], 'glutathione': [112], 'peroxidase': [113], '4,': [114], 'a': [115], 'no': [118], 'structure': [120], 'information,': [121], 'could': [123], 'still': [124], 'be': [125], 'able': [126], 'recently': [134], 'reported': [135], 'activators,': [137], 'demonstrating': [138], 'its': [139], 'potential': [140], 'application': [141], 'designing': [143], 'specific': [144], 'drugs': [146], 'uncovering': [148], 'mechanisms.': [150]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W3164888202', 'counts_by_year': [{'year': 2024, 'cited_by_count': 2}, {'year': 2023, 'cited_by_count': 10}, {'year': 2022, 'cited_by_count': 8}, {'year': 2021, 'cited_by_count': 1}], 'updated_date': '2024-08-21T23:44:13.540459', 'created_date': '2021-06-07'}