Publication Information

{'id': 'https://openalex.org/W4393007495', 'doi': 'https://doi.org/10.21203/rs.3.rs-4113167/v1', 'title': 'Computational analysis of affinity dynamics between the variants of SARS- CoV-2 spike protein (RBD) and human ACE-2 receptor', 'display_name': 'Computational analysis of affinity dynamics between the variants of SARS- CoV-2 spike protein (RBD) and human ACE-2 receptor', 'publication_year': 2024, 'publication_date': '2024-03-20', 'ids': {'openalex': 'https://openalex.org/W4393007495', 'doi': 'https://doi.org/10.21203/rs.3.rs-4113167/v1'}, 'language': 'en', 'primary_location': {'is_oa': True, 'landing_page_url': 'https://doi.org/10.21203/rs.3.rs-4113167/v1', 'pdf_url': 'https://www.researchsquare.com/article/rs-4113167/latest.pdf', 'source': {'id': 'https://openalex.org/S4306402450', 'display_name': 'Research Square (Research Square)', 'issn_l': None, 'issn': None, 'is_oa': True, 'is_in_doaj': False, 'is_core': False, 'host_organization': 'https://openalex.org/I4210096694', 'host_organization_name': 'Research Square (United States)', 'host_organization_lineage': ['https://openalex.org/I4210096694'], 'host_organization_lineage_names': ['Research Square (United States)'], 'type': 'repository'}, 'license': 'cc-by', 'license_id': 'https://openalex.org/licenses/cc-by', 'version': 'submittedVersion', 'is_accepted': False, 'is_published': False}, 'type': 'preprint', 'type_crossref': 'posted-content', 'indexed_in': ['crossref'], 'open_access': {'is_oa': True, 'oa_status': 'green', 'oa_url': 'https://www.researchsquare.com/article/rs-4113167/latest.pdf', 'any_repository_has_fulltext': True}, 'authorships': [{'author_position': 'first', 'author': {'id': 'https://openalex.org/A5079293318', 'display_name': 'Nishad Sultana', 'orcid': None}, 'institutions': [], 'countries': [], 'is_corresponding': False, 'raw_author_name': 'Nishad Sultana', 'raw_affiliation_strings': ['University of Agricultural Sciences, GKVK'], 'affiliations': [{'raw_affiliation_string': 'University of Agricultural Sciences, GKVK', 'institution_ids': []}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5031581975', 'display_name': 'S. N. Nagesha', 'orcid': 'https://orcid.org/0000-0003-3279-6034'}, 'institutions': [{'id': 'https://openalex.org/I199921877', 'display_name': 'University of Agricultural Sciences, Bangalore', 'ror': 'https://ror.org/03js6zg56', 'country_code': 'IN', 'type': 'education', 'lineage': ['https://openalex.org/I199921877']}], 'countries': ['IN'], 'is_corresponding': False, 'raw_author_name': 'S.N. Nagesha', 'raw_affiliation_strings': ['University of Agricultural Sciences, Bangalore College of Agriculture'], 'affiliations': [{'raw_affiliation_string': 'University of Agricultural Sciences, Bangalore College of Agriculture', 'institution_ids': ['https://openalex.org/I199921877']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5102633039', 'display_name': 'C.N. Lakshminarayan Reddy', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I199921877', 'display_name': 'University of Agricultural Sciences, Bangalore', 'ror': 'https://ror.org/03js6zg56', 'country_code': 'IN', 'type': 'education', 'lineage': ['https://openalex.org/I199921877']}], 'countries': ['IN'], 'is_corresponding': False, 'raw_author_name': 'C.N. Lakshminarayan Reddy', 'raw_affiliation_strings': ['University of Agricultural Sciences, Bangalore College of Agriculture'], 'affiliations': [{'raw_affiliation_string': 'University of Agricultural Sciences, Bangalore College of Agriculture', 'institution_ids': ['https://openalex.org/I199921877']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5090641373', 'display_name': 'Ramesh B. Narasingappa', 'orcid': 'https://orcid.org/0000-0002-6494-8576'}, 'institutions': [{'id': 'https://openalex.org/I179420787', 'display_name': 'Indian Council of Agricultural Research', 'ror': 'https://ror.org/04fw54a43', 'country_code': 'IN', 'type': 'government', 'lineage': ['https://openalex.org/I179420787']}], 'countries': ['IN'], 'is_corresponding': False, 'raw_author_name': 'B.N. Ramesh', 'raw_affiliation_strings': ['ICAR-PHT, UAS, GKVK'], 'affiliations': [{'raw_affiliation_string': 'ICAR-PHT, UAS, GKVK', 'institution_ids': ['https://openalex.org/I179420787']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5007774600', 'display_name': 'S. Shyamalamma', 'orcid': None}, 'institutions': [], 'countries': [], 'is_corresponding': False, 'raw_author_name': 'S. Shyamalamma', 'raw_affiliation_strings': ['University of Agricultural Sciences, GKVK'], 'affiliations': [{'raw_affiliation_string': 'University of Agricultural Sciences, GKVK', 'institution_ids': []}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5102651359', 'display_name': 'K. S. Shashidhara', 'orcid': None}, 'institutions': [], 'countries': [], 'is_corresponding': False, 'raw_author_name': 'K. S. Shashidhara', 'raw_affiliation_strings': ['University of Agricultural Sciences- Hassan'], 'affiliations': [{'raw_affiliation_string': 'University of Agricultural Sciences- Hassan', 'institution_ids': []}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5009913324', 'display_name': 'K. M. Satish', 'orcid': None}, 'institutions': [], 'countries': [], 'is_corresponding': False, 'raw_author_name': 'K.M. Satish', 'raw_affiliation_strings': ['KSNUAHS', 'University of Agricultural Sciences, GKVK'], 'affiliations': [{'raw_affiliation_string': 'KSNUAHS', 'institution_ids': []}, {'raw_affiliation_string': 'University of Agricultural Sciences, GKVK', 'institution_ids': []}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5102945585', 'display_name': 'C. Pradeep', 'orcid': 'https://orcid.org/0000-0002-8402-424X'}, 'institutions': [], 'countries': [], 'is_corresponding': False, 'raw_author_name': 'C. Pradeep', 'raw_affiliation_strings': ['University of Agricultural Sciences, GKVK'], 'affiliations': [{'raw_affiliation_string': 'University of Agricultural Sciences, GKVK', 'institution_ids': []}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5094203477', 'display_name': 'Vidyadhar G.D.', 'orcid': None}, 'institutions': [], 'countries': [], 'is_corresponding': False, 'raw_author_name': 'Vidyadhar G.D.', 'raw_affiliation_strings': ['University of Agricultural Sciences, GKVK'], 'affiliations': [{'raw_affiliation_string': 'University of Agricultural Sciences, GKVK', 'institution_ids': []}]}], 'institution_assertions': [], 'countries_distinct_count': 1, 'institutions_distinct_count': 2, 'corresponding_author_ids': [], 'corresponding_institution_ids': [], 'apc_list': None, 'apc_paid': None, 'fwci': None, 'has_fulltext': True, 'fulltext_origin': 'pdf', 'cited_by_count': 0, 'citation_normalized_percentile': {'value': 0.0, 'is_in_top_1_percent': False, 'is_in_top_10_percent': False}, 'cited_by_percentile_year': {'min': 0, 'max': 87}, 'biblio': {'volume': None, 'issue': None, 'first_page': None, 'last_page': None}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T10118', 'display_name': 'Coronavirus Disease 2019 Research', 'score': 0.9997, 'subfield': {'id': 'https://openalex.org/subfields/2725', 'display_name': 'Infectious Diseases'}, 'field': {'id': 'https://openalex.org/fields/27', 'display_name': 'Medicine'}, 'domain': {'id': 'https://openalex.org/domains/4', 'display_name': 'Health Sciences'}}, 'topics': [{'id': 'https://openalex.org/T10118', 'display_name': 'Coronavirus Disease 2019 Research', 'score': 0.9997, 'subfield': {'id': 'https://openalex.org/subfields/2725', 'display_name': 'Infectious Diseases'}, 'field': {'id': 'https://openalex.org/fields/27', 'display_name': 'Medicine'}, 'domain': {'id': 'https://openalex.org/domains/4', 'display_name': 'Health Sciences'}}, {'id': 'https://openalex.org/T10211', 'display_name': 'Computational Methods in Drug Discovery', 'score': 0.9948, '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/T10167', 'display_name': 'Influenza Virus Research and Epidemiology', 'score': 0.9928, 'subfield': {'id': 'https://openalex.org/subfields/2713', 'display_name': 'Epidemiology'}, 'field': {'id': 'https://openalex.org/fields/27', 'display_name': 'Medicine'}, 'domain': {'id': 'https://openalex.org/domains/4', 'display_name': 'Health Sciences'}}], 'keywords': [{'id': 'https://openalex.org/keywords/spike-protein', 'display_name': 'Spike Protein', 'score': 0.723732}, {'id': 'https://openalex.org/keywords/ace2-receptor', 'display_name': 'ACE2 Receptor', 'score': 0.516003}], 'concepts': [{'id': 'https://openalex.org/C2781390188', 'wikidata': 'https://www.wikidata.org/wiki/Q25203449', 'display_name': 'Spike (software development)', 'level': 2, 'score': 0.8178477}, {'id': 'https://openalex.org/C2909509916', 'wikidata': 'https://www.wikidata.org/wiki/Q22329850', 'display_name': 'Spike Protein', 'level': 5, 'score': 0.723732}, {'id': 'https://openalex.org/C3007834351', 'wikidata': 'https://www.wikidata.org/wiki/Q82069695', 'display_name': 'Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)', 'level': 5, 'score': 0.59161496}, {'id': 'https://openalex.org/C70721500', 'wikidata': 'https://www.wikidata.org/wiki/Q177005', 'display_name': 'Computational biology', 'level': 1, 'score': 0.49821067}, {'id': 'https://openalex.org/C3008058167', 'wikidata': 'https://www.wikidata.org/wiki/Q84263196', 'display_name': 'Coronavirus disease 2019 (COVID-19)', 'level': 4, 'score': 0.45845097}, {'id': 'https://openalex.org/C170493617', 'wikidata': 'https://www.wikidata.org/wiki/Q208467', 'display_name': 'Receptor', 'level': 2, 'score': 0.43970296}, {'id': 'https://openalex.org/C86803240', 'wikidata': 'https://www.wikidata.org/wiki/Q420', 'display_name': 'Biology', 'level': 0, 'score': 0.38354954}, {'id': 'https://openalex.org/C54355233', 'wikidata': 'https://www.wikidata.org/wiki/Q7162', 'display_name': 'Genetics', 'level': 1, 'score': 0.33743036}, {'id': 'https://openalex.org/C41008148', 'wikidata': 'https://www.wikidata.org/wiki/Q21198', 'display_name': 'Computer science', 'level': 0, 'score': 0.23798475}, {'id': 'https://openalex.org/C71924100', 'wikidata': 'https://www.wikidata.org/wiki/Q11190', 'display_name': 'Medicine', 'level': 0, 'score': 0.19127175}, {'id': 'https://openalex.org/C126322002', 'wikidata': 'https://www.wikidata.org/wiki/Q11180', 'display_name': 'Internal medicine', 'level': 1, 'score': 0.09567499}, {'id': 'https://openalex.org/C115903868', 'wikidata': 'https://www.wikidata.org/wiki/Q80993', 'display_name': 'Software engineering', 'level': 1, 'score': 0.0}, {'id': 'https://openalex.org/C2779134260', 'wikidata': 'https://www.wikidata.org/wiki/Q12136', 'display_name': 'Disease', 'level': 2, 'score': 0.0}, {'id': 'https://openalex.org/C524204448', 'wikidata': 'https://www.wikidata.org/wiki/Q788926', 'display_name': 'Infectious disease (medical specialty)', 'level': 3, 'score': 0.0}], 'mesh': [], 'locations_count': 2, 'locations': [{'is_oa': True, 'landing_page_url': 'https://doi.org/10.21203/rs.3.rs-4113167/v1', 'pdf_url': 'https://www.researchsquare.com/article/rs-4113167/latest.pdf', 'source': {'id': 'https://openalex.org/S4306402450', 'display_name': 'Research Square (Research Square)', 'issn_l': None, 'issn': None, 'is_oa': True, 'is_in_doaj': False, 'is_core': False, 'host_organization': 'https://openalex.org/I4210096694', 'host_organization_name': 'Research Square (United States)', 'host_organization_lineage': ['https://openalex.org/I4210096694'], 'host_organization_lineage_names': ['Research Square (United States)'], 'type': 'repository'}, 'license': 'cc-by', 'license_id': 'https://openalex.org/licenses/cc-by', 'version': 'submittedVersion', 'is_accepted': False, 'is_published': False}, {'is_oa': True, 'landing_page_url': 'https://doi.org/10.1186/s12985-024-02365-3', 'pdf_url': 'https://virologyj.biomedcentral.com/counter/pdf/10.1186/s12985-024-02365-3', 'source': None, 'license': 'cc-by', 'license_id': 'https://openalex.org/licenses/cc-by', 'version': 'publishedVersion', 'is_accepted': True, 'is_published': True}], 'best_oa_location': {'is_oa': True, 'landing_page_url': 'https://doi.org/10.21203/rs.3.rs-4113167/v1', 'pdf_url': 'https://www.researchsquare.com/article/rs-4113167/latest.pdf', 'source': {'id': 'https://openalex.org/S4306402450', 'display_name': 'Research Square (Research Square)', 'issn_l': None, 'issn': None, 'is_oa': True, 'is_in_doaj': False, 'is_core': False, 'host_organization': 'https://openalex.org/I4210096694', 'host_organization_name': 'Research Square (United States)', 'host_organization_lineage': ['https://openalex.org/I4210096694'], 'host_organization_lineage_names': ['Research Square (United States)'], 'type': 'repository'}, 'license': 'cc-by', 'license_id': 'https://openalex.org/licenses/cc-by', 'version': 'submittedVersion', 'is_accepted': False, 'is_published': False}, 'sustainable_development_goals': [{'score': 0.85, 'display_name': 'Good health and well-being', 'id': 'https://metadata.un.org/sdg/3'}], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 32, 'referenced_works': ['https://openalex.org/W2053538195', 'https://openalex.org/W2114850508', 'https://openalex.org/W2135464465', 'https://openalex.org/W2154019529', 'https://openalex.org/W2302657425', 'https://openalex.org/W2342374505', 'https://openalex.org/W2512372054', 'https://openalex.org/W2799524357', 'https://openalex.org/W3012944241', 'https://openalex.org/W3015190630', 'https://openalex.org/W3107112434', 'https://openalex.org/W3120079728', 'https://openalex.org/W3131287340', 'https://openalex.org/W3136193945', 'https://openalex.org/W3164129002', 'https://openalex.org/W3169503674', 'https://openalex.org/W3192905420', 'https://openalex.org/W3197480610', 'https://openalex.org/W3199436157', 'https://openalex.org/W3200630396', 'https://openalex.org/W3206346080', 'https://openalex.org/W3207334095', 'https://openalex.org/W3210595847', 'https://openalex.org/W3212854871', 'https://openalex.org/W4205716796', 'https://openalex.org/W4206185298', 'https://openalex.org/W4206737621', 'https://openalex.org/W4220829693', 'https://openalex.org/W4225266546', 'https://openalex.org/W4226450917', 'https://openalex.org/W4285993171', 'https://openalex.org/W4308876454'], 'related_works': ['https://openalex.org/W4292098121', 'https://openalex.org/W4224279380', 'https://openalex.org/W4206669628', 'https://openalex.org/W4206651655', 'https://openalex.org/W4206548596', 'https://openalex.org/W4205317059', 'https://openalex.org/W3207585454', 'https://openalex.org/W3198183218', 'https://openalex.org/W3176864053', 'https://openalex.org/W3135501652'], 'abstract_inverted_index': {'<title>Abstract</title>': [0], 'The': [1], 'novel': [2], 'coronavirus': [3], 'SARS-CoV-2': [4, 80, 110], 'resulted': [5], 'in': [6, 104, 152, 205, 222], 'a': [7, 137, 233], 'significant': [8], 'worldwide': [9], 'health': [10], 'emergency': [11], 'known': [12], 'as': [13], 'the': [14, 23, 55, 69, 74, 89, 101, 105, 113, 130, 144, 149, 153, 178, 188, 195, 209, 216, 227, 236, 241], 'COVID-19': [15], 'pandemic.': [16], 'This': [17], 'crisis': [18], 'has': [19, 231], 'been': [20], 'marked': [21], 'by': [22], 'widespread': [24], 'of': [25, 45, 71, 79, 107, 139, 155, 182, 208, 244], 'various': [26, 49, 150], 'variants,': [27], 'with': [28, 88], 'certain': [29], 'ones': [30], 'causing': [31], 'notable': [32], 'apprehension.': [33], 'In': [34], 'this': [35], 'study,': [36], 'we': [37, 65], 'harnessed': [38], 'computational': [39], 'techniques': [40], 'to': [41, 67, 99, 187, 193], 'scrutinize': [42], 'these': [43, 83], 'Variants': [44], 'Concern': [46], '(VOCs),': [47], 'including': [48], 'Omicron': [50], 'subvariants.': [51], 'Our': [52, 96, 134], 'approach': [53], 'involved': [54], 'utilizing': [56], 'protein': [57], 'structure': [58], 'prediction': [59], 'algorithms': [60], 'and': [61, 81, 118, 123, 148, 219], 'molecular': [62], 'docking': [63, 117], 'techniques,': [64], 'aim': [66], 'investigate': [68], 'effects': [70], 'mutations': [72, 84, 203], 'within': [73], 'Receptor': [75, 210], 'Binding': [76, 211], 'Domain': [77, 212], '(RBD)': [78, 213], 'how': [82], 'influence': [85], 'its': [86], 'interactions': [87, 127, 221], 'human': [90, 145], 'angiotensin-converting': [91], 'enzyme': [92], '2': [93], '(hACE-2)': [94], 'receptor.': [95], 'focus': [97], 'extends': [98], 'predicting': [100], 'structural': [102], 'alterations': [103], 'RBD': [106, 242], 'naturally': [108], 'occurring': [109, 128, 204], 'variants': [111, 230], 'using': [112], 'tr-Rosetta': [114], 'algorithm.': [115], 'Subsequent': [116], 'binding': [119, 141, 180, 217], 'analysis': [120], 'employing': [121], 'HADDOCK': [122], 'PRODIGY': [124], 'illuminated': [125], 'crucial': [126], 'at': [129], 'Receptor-Binding': [131], 'Motif': [132], '(RBM).': [133], 'findings': [135], 'revealed': [136], 'hierarchy': [138], 'increased': [140], 'affinity': [142, 181, 218], 'between': [143], 'ACE2': [146], 'receptor': [147, 190], 'RBDs,': [151], 'order': [154], 'wild': [156], 'type': [157], '(Wuhan-strain)': [158], '&lt;': [159, 161, 163, 165, 167, 169, 171, 173], 'Beta': [160], 'Alpha': [162], 'Gamma': [164], 'Omicron-B.1.1.529': [166], 'Delta': [168], 'Omicron-BA.2.12.1': [170], 'Omicron-BA.5.2.1': [172], 'Omicron-BA.1.1.': [174], 'Notably,': [175], 'Omicron-BA.1.1': [176], 'demonstrated': [177], 'highest': [179], '-17.4': [183], 'kcal': [184], 'mol<sup>−': [185], '1</sup>': [186], 'hACE2': [189], 'when': [191], 'compared': [192], 'all': [194, 223], 'mutant': [196, 224], 'complexes.': [197, 225], 'Additionally,': [198], 'our': [199], 'examination': [200], 'indicated': [201], 'that': [202], 'active': [206], 'residues': [207], 'consistently': [214], 'improved': [215], 'intermolecular': [220], 'Analyzing': [226], 'differences': [228], 'among': [229], 'laid': [232], 'foundation': [234], 'for': [235], 'structure-based': [237], 'drug': [238], 'design': [239], 'targeting': [240], 'region': [243], 'SARS-CoV-2.': [245]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W4393007495', 'counts_by_year': [], 'updated_date': '2024-09-25T21:31:52.599678', 'created_date': '2024-03-21'}