Get quick answers to your questions about the article from our AI researcher chatbot
{'id': 'https://openalex.org/W2911679003', 'doi': 'https://doi.org/10.1007/s10822-019-00187-y', 'title': 'Water molecules in protein–ligand interfaces. Evaluation of software tools and SAR comparison', 'display_name': 'Water molecules in protein–ligand interfaces. Evaluation of software tools and SAR comparison', 'publication_year': 2019, 'publication_date': '2019-02-12', 'ids': {'openalex': 'https://openalex.org/W2911679003', 'doi': 'https://doi.org/10.1007/s10822-019-00187-y', 'mag': '2911679003', 'pmid': 'https://pubmed.ncbi.nlm.nih.gov/30756207'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.1007/s10822-019-00187-y', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S64621741', 'display_name': 'Journal of Computer-Aided Molecular Design', 'issn_l': '0920-654X', 'issn': ['0920-654X', '1573-4951'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310319900', 'host_organization_name': 'Springer Science+Business Media', 'host_organization_lineage': ['https://openalex.org/P4310319965', 'https://openalex.org/P4310319900'], 'host_organization_lineage_names': ['Springer Nature', 'Springer Science+Business Media'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, 'type': 'article', 'type_crossref': 'journal-article', 'indexed_in': ['crossref', 'pubmed'], '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/A5077542460', 'display_name': 'Eva Nittinger', 'orcid': 'https://orcid.org/0000-0001-7231-7996'}, 'institutions': [{'id': 'https://openalex.org/I159176309', 'display_name': 'Universität Hamburg', 'ror': 'https://ror.org/00g30e956', 'country_code': 'DE', 'type': 'education', 'lineage': ['https://openalex.org/I159176309']}], 'countries': ['DE'], 'is_corresponding': True, 'raw_author_name': 'Eva Nittinger', 'raw_affiliation_strings': ['Universität Hamburg, ZBH - Center for Bioinformatics, Bundesstraße 43, 20146, Hamburg, Germany'], 'affiliations': [{'raw_affiliation_string': 'Universität Hamburg, ZBH - Center for Bioinformatics, Bundesstraße 43, 20146, Hamburg, Germany', 'institution_ids': ['https://openalex.org/I159176309']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5003188981', 'display_name': 'Paul Gibbons', 'orcid': None}, 'institutions': [], 'countries': ['US'], 'is_corresponding': True, 'raw_author_name': 'Paul Gibbons', 'raw_affiliation_strings': ['Genentech, 1 DNA Way, South San Francisco, CA, 94080, USA'], 'affiliations': [{'raw_affiliation_string': 'Genentech, 1 DNA Way, South San Francisco, CA, 94080, USA', 'institution_ids': []}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5059271995', 'display_name': 'Charles Eigenbrot', 'orcid': 'https://orcid.org/0000-0002-8936-6302'}, 'institutions': [], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Charles Eigenbrot', 'raw_affiliation_strings': ['Genentech, 1 DNA Way, South San Francisco, CA, 94080, USA'], 'affiliations': [{'raw_affiliation_string': 'Genentech, 1 DNA Way, South San Francisco, CA, 94080, USA', 'institution_ids': []}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5013246730', 'display_name': 'Doug R. Davies', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I4210156137', 'display_name': 'Beryllium (United States)', 'ror': 'https://ror.org/053re1s95', 'country_code': 'US', 'type': 'company', 'lineage': ['https://openalex.org/I4210156137']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Doug R. Davies', 'raw_affiliation_strings': ['Beryllium Discovery, 7869 NE Day Road West, Bainbridge Island, WA, 98110, USA'], 'affiliations': [{'raw_affiliation_string': 'Beryllium Discovery, 7869 NE Day Road West, Bainbridge Island, WA, 98110, USA', 'institution_ids': ['https://openalex.org/I4210156137']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5020723029', 'display_name': 'Brigitte Maurer', 'orcid': None}, 'institutions': [], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Brigitte Maurer', 'raw_affiliation_strings': ['Genentech, 1 DNA Way, South San Francisco, CA, 94080, USA'], 'affiliations': [{'raw_affiliation_string': 'Genentech, 1 DNA Way, South San Francisco, CA, 94080, USA', 'institution_ids': []}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5066900396', 'display_name': 'Christine Yu', 'orcid': 'https://orcid.org/0000-0003-0731-7118'}, 'institutions': [], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Christine L. Yu', 'raw_affiliation_strings': ['Genentech, 1 DNA Way, South San Francisco, CA, 94080, USA'], 'affiliations': [{'raw_affiliation_string': 'Genentech, 1 DNA Way, South San Francisco, CA, 94080, USA', 'institution_ids': []}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5049254683', 'display_name': 'James R. Kiefer', 'orcid': 'https://orcid.org/0000-0001-6317-0902'}, 'institutions': [], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'James R. Kiefer', 'raw_affiliation_strings': ['Genentech, 1 DNA Way, South San Francisco, CA, 94080, USA'], 'affiliations': [{'raw_affiliation_string': 'Genentech, 1 DNA Way, South San Francisco, CA, 94080, USA', 'institution_ids': []}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5088408344', 'display_name': 'A. Kuglstatter', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I118019719', 'display_name': 'Roche (Switzerland)', 'ror': 'https://ror.org/00by1q217', 'country_code': 'CH', 'type': 'company', 'lineage': ['https://openalex.org/I118019719']}], 'countries': ['CH'], 'is_corresponding': False, 'raw_author_name': 'Andreas Kuglstatter', 'raw_affiliation_strings': ['F. Hoffman-La Roche Ltd, Grenzacherstrasse 124, 4070, Basel, Switzerland'], 'affiliations': [{'raw_affiliation_string': 'F. Hoffman-La Roche Ltd, Grenzacherstrasse 124, 4070, Basel, Switzerland', 'institution_ids': ['https://openalex.org/I118019719']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5032044469', 'display_name': 'Jeremy Murray', 'orcid': 'https://orcid.org/0000-0002-2161-9326'}, 'institutions': [], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Jeremy Murray', 'raw_affiliation_strings': ['Genentech, 1 DNA Way, South San Francisco, CA, 94080, USA'], 'affiliations': [{'raw_affiliation_string': 'Genentech, 1 DNA Way, South San Francisco, CA, 94080, USA', 'institution_ids': []}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5053480075', 'display_name': 'Daniel F. Ortwine', 'orcid': None}, 'institutions': [], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Daniel F. Ortwine', 'raw_affiliation_strings': ['Genentech, 1 DNA Way, South San Francisco, CA, 94080, USA'], 'affiliations': [{'raw_affiliation_string': 'Genentech, 1 DNA Way, South San Francisco, CA, 94080, USA', 'institution_ids': []}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5101517744', 'display_name': 'Yong Tang', 'orcid': 'https://orcid.org/0000-0002-9330-5502'}, 'institutions': [{'id': 'https://openalex.org/I4210146481', 'display_name': 'Constellation Pharmaceuticals (United States)', 'ror': 'https://ror.org/04dxbz091', 'country_code': 'US', 'type': 'company', 'lineage': ['https://openalex.org/I4210146481']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Yong Tang', 'raw_affiliation_strings': ['Constellation Pharmaceuticals, 215 First Street, Cambridge, MA, 02142, USA'], 'affiliations': [{'raw_affiliation_string': 'Constellation Pharmaceuticals, 215 First Street, Cambridge, MA, 02142, USA', 'institution_ids': ['https://openalex.org/I4210146481']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5076989067', 'display_name': 'Vickie Tsui', 'orcid': 'https://orcid.org/0000-0003-4370-6727'}, 'institutions': [], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Vickie Tsui', 'raw_affiliation_strings': ['Genentech, 1 DNA Way, South San Francisco, CA, 94080, USA'], 'affiliations': [{'raw_affiliation_string': 'Genentech, 1 DNA Way, South San Francisco, CA, 94080, USA', 'institution_ids': []}]}], 'institution_assertions': [], 'countries_distinct_count': 3, 'institutions_distinct_count': 4, 'corresponding_author_ids': ['https://openalex.org/A5077542460', 'https://openalex.org/A5003188981'], 'corresponding_institution_ids': ['https://openalex.org/I159176309'], 'apc_list': {'value': 2890, 'currency': 'EUR', 'value_usd': 3690, 'provenance': 'doaj'}, 'apc_paid': None, 'fwci': 1.364, 'has_fulltext': True, 'fulltext_origin': 'ngrams', 'cited_by_count': 27, 'citation_normalized_percentile': {'value': 0.999983, 'is_in_top_1_percent': True, 'is_in_top_10_percent': True}, 'cited_by_percentile_year': {'min': 94, 'max': 95}, 'biblio': {'volume': '33', 'issue': '3', 'first_page': '307', 'last_page': '330'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T12534', 'display_name': 'Targeted Protein Degradation in Biomedical Research', 'score': 0.9962, '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'}}, 'topics': [{'id': 'https://openalex.org/T12534', 'display_name': 'Targeted Protein Degradation in Biomedical Research', 'score': 0.9962, '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/T10211', 'display_name': 'Computational Methods in Drug Discovery', 'score': 0.9937, '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/T11407', 'display_name': 'Droplet Microfluidics Technology', 'score': 0.9881, 'subfield': {'id': 'https://openalex.org/subfields/2204', 'display_name': 'Biomedical Engineering'}, 'field': {'id': 'https://openalex.org/fields/22', 'display_name': 'Engineering'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}], 'keywords': [{'id': 'https://openalex.org/keywords/drug-target-identification', 'display_name': 'Drug Target Identification', 'score': 0.526342}], 'concepts': [{'id': 'https://openalex.org/C74401373', 'wikidata': 'https://www.wikidata.org/wiki/Q1829843', 'display_name': 'Bromodomain', 'level': 4, 'score': 0.870442}, {'id': 'https://openalex.org/C57992300', 'wikidata': 'https://www.wikidata.org/wiki/Q2066956', 'display_name': 'Potency', 'level': 3, 'score': 0.7398727}, {'id': 'https://openalex.org/C32909587', 'wikidata': 'https://www.wikidata.org/wiki/Q11369', 'display_name': 'Molecule', 'level': 2, 'score': 0.537846}, {'id': 'https://openalex.org/C116569031', 'wikidata': 'https://www.wikidata.org/wiki/Q899107', 'display_name': 'Ligand (biochemistry)', 'level': 3, 'score': 0.5041958}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.50258565}, {'id': 'https://openalex.org/C70721500', 'wikidata': 'https://www.wikidata.org/wiki/Q177005', 'display_name': 'Computational biology', 'level': 1, 'score': 0.38066813}, {'id': 'https://openalex.org/C8010536', 'wikidata': 'https://www.wikidata.org/wiki/Q160398', 'display_name': 'Crystallography', 'level': 1, 'score': 0.35663462}, {'id': 'https://openalex.org/C147597530', 'wikidata': 'https://www.wikidata.org/wiki/Q369472', 'display_name': 'Computational chemistry', 'level': 1, 'score': 0.3542679}, {'id': 'https://openalex.org/C86803240', 'wikidata': 'https://www.wikidata.org/wiki/Q420', 'display_name': 'Biology', 'level': 0, 'score': 0.21378052}, {'id': 'https://openalex.org/C55493867', 'wikidata': 'https://www.wikidata.org/wiki/Q7094', 'display_name': 'Biochemistry', 'level': 1, 'score': 0.19322526}, {'id': 'https://openalex.org/C170493617', 'wikidata': 'https://www.wikidata.org/wiki/Q208467', 'display_name': 'Receptor', 'level': 2, 'score': 0.0}, {'id': 'https://openalex.org/C178790620', 'wikidata': 'https://www.wikidata.org/wiki/Q11351', 'display_name': 'Organic chemistry', 'level': 1, 'score': 0.0}, {'id': 'https://openalex.org/C202751555', 'wikidata': 'https://www.wikidata.org/wiki/Q221681', 'display_name': 'In vitro', 'level': 2, 'score': 0.0}, {'id': 'https://openalex.org/C119157956', 'wikidata': 'https://www.wikidata.org/wiki/Q796604', 'display_name': 'Acetylation', 'level': 3, 'score': 0.0}, {'id': 'https://openalex.org/C104317684', 'wikidata': 'https://www.wikidata.org/wiki/Q7187', 'display_name': 'Gene', 'level': 2, 'score': 0.0}], 'mesh': [{'descriptor_ui': 'D000077329', 'descriptor_name': 'Agammaglobulinaemia Tyrosine Kinase', 'qualifier_ui': 'Q000737', 'qualifier_name': 'chemistry', 'is_major_topic': True}, {'descriptor_ui': 'D003198', 'descriptor_name': 'Computer Simulation', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': True}, {'descriptor_ui': 'D008958', 'descriptor_name': 'Models, Molecular', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': True}, {'descriptor_ui': 'D047428', 'descriptor_name': 'Protein Kinase Inhibitors', 'qualifier_ui': 'Q000737', 'qualifier_name': 'chemistry', 'is_major_topic': True}, {'descriptor_ui': 'D014867', 'descriptor_name': 'Water', 'qualifier_ui': 'Q000737', 'qualifier_name': 'chemistry', 'is_major_topic': True}, {'descriptor_ui': 'D000077329', 'descriptor_name': 'Agammaglobulinaemia Tyrosine Kinase', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D018360', 'descriptor_name': 'Crystallography, X-Ray', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D008024', 'descriptor_name': 'Ligands', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D011485', 'descriptor_name': 'Protein Binding', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D000072417', 'descriptor_name': 'Protein Domains', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D047428', 'descriptor_name': 'Protein Kinase Inhibitors', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D012984', 'descriptor_name': 'Software', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D012997', 'descriptor_name': 'Solvents', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D012997', 'descriptor_name': 'Solvents', 'qualifier_ui': 'Q000737', 'qualifier_name': 'chemistry', 'is_major_topic': False}, {'descriptor_ui': 'D013329', 'descriptor_name': 'Structure-Activity Relationship', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D013816', 'descriptor_name': 'Thermodynamics', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D014867', 'descriptor_name': 'Water', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}], 'locations_count': 2, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.1007/s10822-019-00187-y', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S64621741', 'display_name': 'Journal of Computer-Aided Molecular Design', 'issn_l': '0920-654X', 'issn': ['0920-654X', '1573-4951'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310319900', 'host_organization_name': 'Springer Science+Business Media', 'host_organization_lineage': ['https://openalex.org/P4310319965', 'https://openalex.org/P4310319900'], 'host_organization_lineage_names': ['Springer Nature', 'Springer Science+Business Media'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, {'is_oa': False, 'landing_page_url': 'https://pubmed.ncbi.nlm.nih.gov/30756207', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S4306525036', 'display_name': 'PubMed', 'issn_l': None, 'issn': None, 'is_oa': False, 'is_in_doaj': False, 'is_core': False, 'host_organization': 'https://openalex.org/I1299303238', 'host_organization_name': 'National Institutes of Health', 'host_organization_lineage': ['https://openalex.org/I1299303238'], 'host_organization_lineage_names': ['National Institutes of Health'], 'type': 'repository'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}], 'best_oa_location': None, 'sustainable_development_goals': [], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 45, 'referenced_works': ['https://openalex.org/W1968094550', 'https://openalex.org/W1971556338', 'https://openalex.org/W1971652848', 'https://openalex.org/W1975570414', 'https://openalex.org/W1976623517', 'https://openalex.org/W1982440179', 'https://openalex.org/W1986315017', 'https://openalex.org/W1987161922', 'https://openalex.org/W1992632082', 'https://openalex.org/W1992921903', 'https://openalex.org/W1994921798', 'https://openalex.org/W1997513635', 'https://openalex.org/W2000655486', 'https://openalex.org/W2005647584', 'https://openalex.org/W2015647581', 'https://openalex.org/W2023391213', 'https://openalex.org/W2023605204', 'https://openalex.org/W2032857162', 'https://openalex.org/W2046625459', 'https://openalex.org/W2049663171', 'https://openalex.org/W2065009334', 'https://openalex.org/W2068307544', 'https://openalex.org/W2077556050', 'https://openalex.org/W2079280953', 'https://openalex.org/W2093522627', 'https://openalex.org/W2118471957', 'https://openalex.org/W2121954997', 'https://openalex.org/W2152877278', 'https://openalex.org/W2172609141', 'https://openalex.org/W2204075485', 'https://openalex.org/W2238707319', 'https://openalex.org/W2270241120', 'https://openalex.org/W2330936115', 'https://openalex.org/W2395439412', 'https://openalex.org/W2399386526', 'https://openalex.org/W2404861930', 'https://openalex.org/W2518577288', 'https://openalex.org/W2608872311', 'https://openalex.org/W2611512307', 'https://openalex.org/W2611735159', 'https://openalex.org/W2622035624', 'https://openalex.org/W2763443264', 'https://openalex.org/W2777363962', 'https://openalex.org/W2788356134', 'https://openalex.org/W2794400040'], 'related_works': ['https://openalex.org/W4386704776', 'https://openalex.org/W4376870323', 'https://openalex.org/W4247606964', 'https://openalex.org/W2990739655', 'https://openalex.org/W2797801723', 'https://openalex.org/W2791649525', 'https://openalex.org/W2439473447', 'https://openalex.org/W2139480674', 'https://openalex.org/W2083597126', 'https://openalex.org/W2041652616'], 'abstract_inverted_index': None, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W2911679003', 'counts_by_year': [{'year': 2024, 'cited_by_count': 2}, {'year': 2023, 'cited_by_count': 8}, {'year': 2022, 'cited_by_count': 3}, {'year': 2021, 'cited_by_count': 5}, {'year': 2020, 'cited_by_count': 6}, {'year': 2019, 'cited_by_count': 2}, {'year': 2018, 'cited_by_count': 1}], 'updated_date': '2024-09-20T00:52:25.611994', 'created_date': '2019-02-21'}