{"id":"https://openalex.org/W2992232256","doi":"https://doi.org/10.1007/978-3-030-36592-9_30","title":"Search for Approaches to Supercomputer Quantum-Chemical Docking","display_name":"Search for Approaches to Supercomputer Quantum-Chemical Docking","publication_year":2019,"publication_date":"2019-01-01","ids":{"openalex":"https://openalex.org/W2992232256","doi":"https://doi.org/10.1007/978-3-030-36592-9_30","mag":"2992232256"},"language":"en","primary_location":{"id":"doi:10.1007/978-3-030-36592-9_30","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-030-36592-9_30","pdf_url":null,"source":{"id":"https://openalex.org/S2764900261","display_name":"Communications in computer and information science","issn_l":"1865-0929","issn":["1865-0929","1865-0937"],"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/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Communications in Computer and Information Science","raw_type":"book-chapter"},"type":"conference-paper","indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5101695175","display_name":"\u0410.\u0412. \u0421\u0443\u043b\u0438\u043c\u043e\u0432","orcid":"https://orcid.org/0000-0002-8767-642X"},"institutions":[{"id":"https://openalex.org/I19880235","display_name":"Lomonosov Moscow State University","ror":"https://ror.org/010pmpe69","country_code":"RU","type":"education","lineage":["https://openalex.org/I19880235"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Alexey Sulimov","raw_affiliation_strings":["Dimonta, Ltd., Moscow, 117186, Russia","Research Computer Center, Lomonosov Moscow State University, Moscow, 119992, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dimonta, Ltd., Moscow, 117186, Russia","institution_ids":[]},{"raw_affiliation_string":"Research Computer Center, Lomonosov Moscow State University, Moscow, 119992, Russia","institution_ids":["https://openalex.org/I19880235"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5081004260","display_name":"Danil Kutov","orcid":"https://orcid.org/0000-0002-4777-6522"},"institutions":[{"id":"https://openalex.org/I19880235","display_name":"Lomonosov Moscow State University","ror":"https://ror.org/010pmpe69","country_code":"RU","type":"education","lineage":["https://openalex.org/I19880235"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Danil Kutov","raw_affiliation_strings":["Dimonta, Ltd., Moscow, 117186, Russia","Research Computer Center, Lomonosov Moscow State University, Moscow, 119992, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dimonta, Ltd., Moscow, 117186, Russia","institution_ids":[]},{"raw_affiliation_string":"Research Computer Center, Lomonosov Moscow State University, Moscow, 119992, Russia","institution_ids":["https://openalex.org/I19880235"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5082193978","display_name":"Anna K. Gribkova","orcid":"https://orcid.org/0000-0002-9015-2272"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Anna Gribkova","raw_affiliation_strings":["Dimonta, Ltd., Moscow, 117186, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dimonta, Ltd., Moscow, 117186, Russia","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5030842718","display_name":"Ivan Ilin","orcid":"https://orcid.org/0000-0002-3612-393X"},"institutions":[{"id":"https://openalex.org/I19880235","display_name":"Lomonosov Moscow State University","ror":"https://ror.org/010pmpe69","country_code":"RU","type":"education","lineage":["https://openalex.org/I19880235"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Ivan Ilin","raw_affiliation_strings":["Dimonta, Ltd., Moscow, 117186, Russia","Research Computer Center, Lomonosov Moscow State University, Moscow, 119992, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dimonta, Ltd., Moscow, 117186, Russia","institution_ids":[]},{"raw_affiliation_string":"Research Computer Center, Lomonosov Moscow State University, Moscow, 119992, Russia","institution_ids":["https://openalex.org/I19880235"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069075897","display_name":"Anna Tashchilova","orcid":"https://orcid.org/0000-0001-8701-5472"},"institutions":[{"id":"https://openalex.org/I19880235","display_name":"Lomonosov Moscow State University","ror":"https://ror.org/010pmpe69","country_code":"RU","type":"education","lineage":["https://openalex.org/I19880235"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"Anna Tashchilova","raw_affiliation_strings":["Dimonta, Ltd., Moscow, 117186, Russia","Research Computer Center, Lomonosov Moscow State University, Moscow, 119992, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dimonta, Ltd., Moscow, 117186, Russia","institution_ids":[]},{"raw_affiliation_string":"Research Computer Center, Lomonosov Moscow State University, Moscow, 119992, Russia","institution_ids":["https://openalex.org/I19880235"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5080885688","display_name":"\u0412. \u0411. \u0421\u0443\u043b\u0438\u043c\u043e\u0432","orcid":"https://orcid.org/0000-0002-7102-6107"},"institutions":[{"id":"https://openalex.org/I19880235","display_name":"Lomonosov Moscow State University","ror":"https://ror.org/010pmpe69","country_code":"RU","type":"education","lineage":["https://openalex.org/I19880235"]}],"countries":["RU"],"is_corresponding":true,"raw_author_name":"Vladimir Sulimov","raw_affiliation_strings":["Dimonta, Ltd., Moscow, 117186, Russia","Research Computer Center, Lomonosov Moscow State University, Moscow, 119992, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dimonta, Ltd., Moscow, 117186, Russia","institution_ids":[]},{"raw_affiliation_string":"Research Computer Center, Lomonosov Moscow State University, Moscow, 119992, Russia","institution_ids":["https://openalex.org/I19880235"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5080885688"],"corresponding_institution_ids":["https://openalex.org/I19880235"],"apc_list":null,"apc_paid":null,"fwci":5.8549,"has_fulltext":false,"cited_by_count":8,"citation_normalized_percentile":{"value":0.96669873,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":90,"max":97},"biblio":{"volume":null,"issue":null,"first_page":"363","last_page":"378"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9998999834060669,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9998999834060669,"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 Drug Discovery Methods","score":0.9995999932289124,"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/T11162","display_name":"Enzyme Structure and Function","score":0.9993000030517578,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.7817956209182739},{"id":"https://openalex.org/keywords/enthalpy","display_name":"Enthalpy","score":0.6488675475120544},{"id":"https://openalex.org/keywords/ligand","display_name":"Ligand (biochemistry)","score":0.5856802463531494},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.583927571773529},{"id":"https://openalex.org/keywords/protein-ligand","display_name":"Protein ligand","score":0.5702478885650635},{"id":"https://openalex.org/keywords/protein\u2013ligand-docking","display_name":"Protein\u2013ligand docking","score":0.5495589375495911},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.5250670313835144},{"id":"https://openalex.org/keywords/quantum-chemical","display_name":"Quantum chemical","score":0.4715205430984497},{"id":"https://openalex.org/keywords/binding-energy","display_name":"Binding energy","score":0.42286837100982666},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.38879162073135376},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.2959429919719696},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.28271690011024475},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.23219400644302368},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.20205527544021606},{"id":"https://openalex.org/keywords/atomic-physics","display_name":"Atomic physics","score":0.16703253984451294},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.08292332291603088}],"concepts":[{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.7817956209182739},{"id":"https://openalex.org/C3288061","wikidata":"https://www.wikidata.org/wiki/Q161064","display_name":"Enthalpy","level":2,"score":0.6488675475120544},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.5856802463531494},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.583927571773529},{"id":"https://openalex.org/C109095088","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Protein ligand","level":2,"score":0.5702478885650635},{"id":"https://openalex.org/C77319485","wikidata":"https://www.wikidata.org/wiki/Q7251520","display_name":"Protein\u2013ligand docking","level":4,"score":0.5495589375495911},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.5250670313835144},{"id":"https://openalex.org/C2991951333","wikidata":"https://www.wikidata.org/wiki/Q188403","display_name":"Quantum chemical","level":3,"score":0.4715205430984497},{"id":"https://openalex.org/C93282013","wikidata":"https://www.wikidata.org/wiki/Q420754","display_name":"Binding energy","level":2,"score":0.42286837100982666},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.38879162073135376},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.2959429919719696},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.28271690011024475},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.23219400644302368},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.20205527544021606},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.16703253984451294},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.08292332291603088},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.0},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1007/978-3-030-36592-9_30","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-030-36592-9_30","pdf_url":null,"source":{"id":"https://openalex.org/S2764900261","display_name":"Communications in computer and information science","issn_l":"1865-0929","issn":["1865-0929","1865-0937"],"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/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Communications in Computer and Information Science","raw_type":"book-chapter"}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Affordable and clean energy","score":0.8600000143051147,"id":"https://metadata.un.org/sdg/7"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":23,"referenced_works":["https://openalex.org/W97002856","https://openalex.org/W2008558900","https://openalex.org/W2025178360","https://openalex.org/W2028046413","https://openalex.org/W2032084435","https://openalex.org/W2055452494","https://openalex.org/W2055563809","https://openalex.org/W2068066024","https://openalex.org/W2078363230","https://openalex.org/W2078786624","https://openalex.org/W2086126241","https://openalex.org/W2130479394","https://openalex.org/W2169307138","https://openalex.org/W2240116627","https://openalex.org/W2323519269","https://openalex.org/W2576623455","https://openalex.org/W2592161454","https://openalex.org/W2761669656","https://openalex.org/W2891255742","https://openalex.org/W2906734242","https://openalex.org/W2908087786","https://openalex.org/W2908799171","https://openalex.org/W3087277029"],"related_works":["https://openalex.org/W1581147483","https://openalex.org/W4310018788","https://openalex.org/W2417162538","https://openalex.org/W1567411871","https://openalex.org/W2329052364","https://openalex.org/W2162967120","https://openalex.org/W2037320233","https://openalex.org/W2885308902","https://openalex.org/W2031553931","https://openalex.org/W1997409847"],"abstract_inverted_index":null,"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":2}],"updated_date":"2026-08-04T08:18:43.703281","created_date":"2025-10-10T00:00:00"}
