{"id":"https://openalex.org/W2082569178","doi":"https://doi.org/10.1007/bf00124465","title":"Similarity and complementarity of molecular shapes: Applicability of a topological analysis approach","display_name":"Similarity and complementarity of molecular shapes: Applicability of a topological analysis approach","publication_year":1996,"publication_date":"1996-02-01","ids":{"openalex":"https://openalex.org/W2082569178","doi":"https://doi.org/10.1007/bf00124465","mag":"2082569178","pmid":"https://pubmed.ncbi.nlm.nih.gov/8786415"},"language":"en","primary_location":{"is_oa":false,"landing_page_url":"https://doi.org/10.1007/bf00124465","pdf_url":null,"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":null,"license_id":null,"version":null,"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":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5048861055","display_name":"Laurence Leherte","orcid":"https://orcid.org/0000-0001-8468-5462"},"institutions":[{"id":"https://openalex.org/I149768937","display_name":"University of Namur","ror":"https://ror.org/03d1maw17","country_code":"BE","type":"education","lineage":["https://openalex.org/I149768937"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Laurence Leherte","raw_affiliation_strings":["Laboratory of Computational Chemical Physics, Institute for Studies in Interface Science, University of Namur, Namur, Belgium"],"affiliations":[{"raw_affiliation_string":"Laboratory of Computational Chemical Physics, Institute for Studies in Interface Science, University of Namur, Namur, Belgium","institution_ids":["https://openalex.org/I149768937"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5090287415","display_name":"Thibaud Latour","orcid":"https://orcid.org/0000-0001-9795-1934"},"institutions":[{"id":"https://openalex.org/I149768937","display_name":"University of Namur","ror":"https://ror.org/03d1maw17","country_code":"BE","type":"education","lineage":["https://openalex.org/I149768937"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Thibaud Latour","raw_affiliation_strings":["Laboratory of Computational Chemical Physics, Institute for Studies in Interface Science, University of Namur, Namur, Belgium"],"affiliations":[{"raw_affiliation_string":"Laboratory of Computational Chemical Physics, Institute for Studies in Interface Science, University of Namur, Namur, Belgium","institution_ids":["https://openalex.org/I149768937"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5020210539","display_name":"Daniel P. Vercauteren","orcid":"https://orcid.org/0000-0002-6164-8551"},"institutions":[{"id":"https://openalex.org/I149768937","display_name":"University of Namur","ror":"https://ror.org/03d1maw17","country_code":"BE","type":"education","lineage":["https://openalex.org/I149768937"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Daniel P. Vercauteren","raw_affiliation_strings":["Laboratory of Computational Chemical Physics, Institute for Studies in Interface Science, University of Namur, Namur, Belgium"],"affiliations":[{"raw_affiliation_string":"Laboratory of Computational Chemical Physics, Institute for Studies in Interface Science, University of Namur, Namur, Belgium","institution_ids":["https://openalex.org/I149768937"]}]}],"institution_assertions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690,"provenance":"doaj"},"apc_paid":null,"fwci":0.311,"has_fulltext":true,"fulltext_origin":"ngrams","cited_by_count":6,"citation_normalized_percentile":{"value":0.530601,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":73,"max":74},"biblio":{"volume":"10","issue":"1","first_page":"55","last_page":"66"},"is_retracted":false,"is_paratext":false,"primary_topic":{"id":"https://openalex.org/T11162","display_name":"Enzyme Structure and Function","score":0.9994,"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"}},"topics":[{"id":"https://openalex.org/T11162","display_name":"Enzyme Structure and Function","score":0.9994,"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"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9964,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9955,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/complementarity","display_name":"Complementarity (molecular biology)","score":0.579399}],"concepts":[{"id":"https://openalex.org/C202269582","wikidata":"https://www.wikidata.org/wiki/Q2644277","display_name":"Complementarity (molecular biology)","level":2,"score":0.579399},{"id":"https://openalex.org/C125485243","wikidata":"https://www.wikidata.org/wiki/Q905186","display_name":"Electron density","level":3,"score":0.5521037},{"id":"https://openalex.org/C184720557","wikidata":"https://www.wikidata.org/wiki/Q7825049","display_name":"Topology (electrical circuits)","level":2,"score":0.49888372},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.42450774},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.3478235},{"id":"https://openalex.org/C147120987","wikidata":"https://www.wikidata.org/wiki/Q2225","display_name":"Electron","level":2,"score":0.33973092},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.29709938},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.19351935},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.13873467},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.0},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0}],"mesh":[{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":"","qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":"","qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003505","descriptor_name":"Cyclodextrins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D003505","descriptor_name":"Cyclodextrins","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004563","descriptor_name":"Electrochemistry","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D005480","descriptor_name":"Flurbiprofen","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D005480","descriptor_name":"Flurbiprofen","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017433","descriptor_name":"Protein Structure, Secondary","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":"","qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"is_oa":false,"landing_page_url":"https://doi.org/10.1007/bf00124465","pdf_url":null,"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":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false},{"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/8786415","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"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":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false}],"best_oa_location":null,"sustainable_development_goals":[],"grants":[],"datasets":[],"versions":[],"referenced_works_count":47,"referenced_works":["https://openalex.org/W1593325875","https://openalex.org/W1597773817","https://openalex.org/W1605923270","https://openalex.org/W1964462683","https://openalex.org/W1966041739","https://openalex.org/W1970420563","https://openalex.org/W1974464088","https://openalex.org/W1981395507","https://openalex.org/W1981979936","https://openalex.org/W1991018825","https://openalex.org/W1999251726","https://openalex.org/W2007618885","https://openalex.org/W2008373898","https://openalex.org/W2009395033","https://openalex.org/W2012101345","https://openalex.org/W2012132740","https://openalex.org/W2013083986","https://openalex.org/W2013711359","https://openalex.org/W2023329499","https://openalex.org/W2025627930","https://openalex.org/W2025817850","https://openalex.org/W2029449505","https://openalex.org/W2035152104","https://openalex.org/W2035667157","https://openalex.org/W2039337052","https://openalex.org/W2041449378","https://openalex.org/W2058106806","https://openalex.org/W2063831812","https://openalex.org/W2066422288","https://openalex.org/W2067455153","https://openalex.org/W2078838891","https://openalex.org/W2087147492","https://openalex.org/W2087179087","https://openalex.org/W2089612003","https://openalex.org/W2090069426","https://openalex.org/W2092460410","https://openalex.org/W2095296924","https://openalex.org/W2133839889","https://openalex.org/W2143154863","https://openalex.org/W2170507872","https://openalex.org/W2177731497","https://openalex.org/W2245993458","https://openalex.org/W2330383299","https://openalex.org/W2510854709","https://openalex.org/W2803632331","https://openalex.org/W4230466483","https://openalex.org/W4391489009"],"related_works":["https://openalex.org/W4383553409","https://openalex.org/W4372316851","https://openalex.org/W4285172739","https://openalex.org/W3139833644","https://openalex.org/W3123208392","https://openalex.org/W3123110765","https://openalex.org/W2521519254","https://openalex.org/W2212953222","https://openalex.org/W2104948296","https://openalex.org/W1735800226"],"abstract_inverted_index":null,"cited_by_api_url":"https://api.openalex.org/works?filter=cites:W2082569178","counts_by_year":[],"updated_date":"2024-12-11T07:21:21.096910","created_date":"2016-06-24"}