{"id":"https://openalex.org/W2581330672","doi":"https://doi.org/10.1093/bioinformatics/btx037","title":"Ligandbook: an online repository for small and drug-like molecule force field parameters","display_name":"Ligandbook: an online repository for small and drug-like molecule force field parameters","publication_year":2017,"publication_date":"2017-01-27","ids":{"openalex":"https://openalex.org/W2581330672","doi":"https://doi.org/10.1093/bioinformatics/btx037","mag":"2581330672","pmid":"https://pubmed.ncbi.nlm.nih.gov/28130228"},"language":"en","primary_location":{"id":"doi:10.1093/bioinformatics/btx037","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btx037","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/33/11/1747/25153709/btx037.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://academic.oup.com/bioinformatics/article-pdf/33/11/1747/25153709/btx037.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5064872574","display_name":"Jan Doma\u0144ski","orcid":"https://orcid.org/0000-0003-0693-5408"},"institutions":[{"id":"https://openalex.org/I1299303238","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238"]},{"id":"https://openalex.org/I40120149","display_name":"University of Oxford","ror":"https://ror.org/052gg0110","country_code":"GB","type":"education","lineage":["https://openalex.org/I40120149"]},{"id":"https://openalex.org/I4210090567","display_name":"National Institute of Diabetes and Digestive and Kidney Diseases","ror":"https://ror.org/00adh9b73","country_code":"US","type":"facility","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238","https://openalex.org/I4210090567"]}],"countries":["GB","US"],"is_corresponding":false,"raw_author_name":"Jan Doma\u0144ski","raw_affiliation_strings":["Department of Biochemistry, University of Oxford, Oxford, UK","Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD, USA","Department of Biochemistry [Oxford] (South Parks Road\r\nOxford OX1 3QU - United Kingdom)"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biochemistry, University of Oxford, Oxford, UK","institution_ids":["https://openalex.org/I40120149"]},{"raw_affiliation_string":"Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD, USA","institution_ids":["https://openalex.org/I4210090567","https://openalex.org/I1299303238"]},{"raw_affiliation_string":"Department of Biochemistry [Oxford] (South Parks Road\r\nOxford OX1 3QU - United Kingdom)","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5028356492","display_name":"Oliver Beckstein","orcid":"https://orcid.org/0000-0003-1340-0831"},"institutions":[{"id":"https://openalex.org/I55732556","display_name":"Arizona State University","ror":"https://ror.org/03efmqc40","country_code":"US","type":"education","lineage":["https://openalex.org/I55732556"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Oliver Beckstein","raw_affiliation_strings":["Center for Biological Physics, Arizona State University, Tempe, AZ, USA","Department of Physics, Arizona State University, Tempe, AZ, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Center for Biological Physics, Arizona State University, Tempe, AZ, USA","institution_ids":["https://openalex.org/I55732556"]},{"raw_affiliation_string":"Department of Physics, Arizona State University, Tempe, AZ, USA","institution_ids":["https://openalex.org/I55732556"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5028465987","display_name":"Bogdan I. Iorga","orcid":"https://orcid.org/0000-0003-0392-1350"},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I1298838906","display_name":"Institut de Chimie des Substances Naturelles","ror":"https://ror.org/02st4q439","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I1298838906","https://openalex.org/I277688954"]},{"id":"https://openalex.org/I277688954","display_name":"Universit\u00e9 Paris-Saclay","ror":"https://ror.org/03xjwb503","country_code":"FR","type":"education","lineage":["https://openalex.org/I277688954"]}],"countries":["FR"],"is_corresponding":true,"raw_author_name":"Bogdan I Iorga","raw_affiliation_strings":["Institut de Chimie des Substances Naturelles, CNRS UPR 2301, Universit\u00e9 Paris-Saclay, Labex LERMIT, Gif-sur-Yvette, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institut de Chimie des Substances Naturelles, CNRS UPR 2301, Universit\u00e9 Paris-Saclay, Labex LERMIT, Gif-sur-Yvette, France","institution_ids":["https://openalex.org/I277688954","https://openalex.org/I1298838906","https://openalex.org/I1294671590"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":7,"corresponding_author_ids":["https://openalex.org/A5028356492","https://openalex.org/A5028465987"],"corresponding_institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I1298838906","https://openalex.org/I277688954","https://openalex.org/I55732556"],"apc_list":{"value":3618,"currency":"USD","value_usd":3618},"apc_paid":{"value":3618,"currency":"USD","value_usd":3618},"fwci":1.2021,"has_fulltext":false,"cited_by_count":22,"citation_normalized_percentile":{"value":0.77710678,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":98},"biblio":{"volume":"33","issue":"11","first_page":"1747","last_page":"1749"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.3831999897956848,"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":0.3831999897956848,"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":0.14900000393390656,"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/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.06809999793767929,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical 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/computer-science","display_name":"Computer science","score":0.7931721210479736},{"id":"https://openalex.org/keywords/scripting-language","display_name":"Scripting language","score":0.7094511985778809},{"id":"https://openalex.org/keywords/identifier","display_name":"Identifier","score":0.6486899852752686},{"id":"https://openalex.org/keywords/metadata","display_name":"Metadata","score":0.6433045864105225},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.6016221046447754},{"id":"https://openalex.org/keywords/field","display_name":"Field (mathematics)","score":0.5788136720657349},{"id":"https://openalex.org/keywords/force-field","display_name":"Force field (fiction)","score":0.5323327779769897},{"id":"https://openalex.org/keywords/information-retrieval","display_name":"Information retrieval","score":0.48904451727867126},{"id":"https://openalex.org/keywords/software","display_name":"Software","score":0.4675442576408386},{"id":"https://openalex.org/keywords/identification","display_name":"Identification (biology)","score":0.46231967210769653},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.44347426295280457},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.3659343123435974},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.33408939838409424},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.2104051411151886},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.08507490158081055}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7931721210479736},{"id":"https://openalex.org/C61423126","wikidata":"https://www.wikidata.org/wiki/Q187432","display_name":"Scripting language","level":2,"score":0.7094511985778809},{"id":"https://openalex.org/C154504017","wikidata":"https://www.wikidata.org/wiki/Q853614","display_name":"Identifier","level":2,"score":0.6486899852752686},{"id":"https://openalex.org/C93518851","wikidata":"https://www.wikidata.org/wiki/Q180160","display_name":"Metadata","level":2,"score":0.6433045864105225},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.6016221046447754},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.5788136720657349},{"id":"https://openalex.org/C10803110","wikidata":"https://www.wikidata.org/wiki/Q1341441","display_name":"Force field (fiction)","level":2,"score":0.5323327779769897},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.48904451727867126},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.4675442576408386},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.46231967210769653},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.44347426295280457},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.3659343123435974},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.33408939838409424},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.2104051411151886},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.08507490158081055},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0},{"id":"https://openalex.org/C59822182","wikidata":"https://www.wikidata.org/wiki/Q441","display_name":"Botany","level":1,"score":0.0},{"id":"https://openalex.org/C202444582","wikidata":"https://www.wikidata.org/wiki/Q837863","display_name":"Pure mathematics","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":"D000071253","descriptor_name":"Metadata","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000071253","descriptor_name":"Metadata","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000071253","descriptor_name":"Metadata","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":5,"locations":[{"id":"doi:10.1093/bioinformatics/btx037","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btx037","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/33/11/1747/25153709/btx037.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},{"id":"pmid:28130228","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/28130228","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":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics (Oxford, England)","raw_type":null},{"id":"pmh:oai:HAL:hal-02114186v1","is_oa":true,"landing_page_url":"https://hal.science/hal-02114186","pdf_url":null,"source":{"id":"https://openalex.org/S4306402512","display_name":"HAL (Le Centre pour la Communication Scientifique Directe)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1294671590","host_organization_name":"Centre National de la Recherche Scientifique","host_organization_lineage":["https://openalex.org/I1294671590"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics, 2017, 33 (11), pp.1747-1749. &#x27E8;10.1093/bioinformatics/btx037&#x27E9;","raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:europepmc.org:4304531","is_oa":true,"landing_page_url":"http://europepmc.org/articles/PMC5447236","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"","raw_type":"Text"},{"id":"pmh:oai:pubmedcentral.nih.gov:5447236","is_oa":true,"landing_page_url":"http://doi.org/10.1093/bioinformatics/btx037","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1093/bioinformatics/btx037","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btx037","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/33/11/1747/25153709/btx037.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Partnerships for the goals","score":0.46000000834465027,"id":"https://metadata.un.org/sdg/17"}],"awards":[{"id":"https://openalex.org/G1380301591","display_name":null,"funder_award_id":"WT100946AIA","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G3004163614","display_name":null,"funder_award_id":"ANR-10-LABX-33","funder_id":"https://openalex.org/F4320327337","funder_display_name":"Laboratoire d'Excellence en Recherche sur le M\u00e9dicament et l'Innovation Th\u00e9rapeutique"},{"id":"https://openalex.org/G3024506935","display_name":"Idex Paris-Saclay","funder_award_id":"ANR-11-IDEX-0003","funder_id":"https://openalex.org/F4320320883","funder_display_name":"Agence Nationale de la Recherche"},{"id":"https://openalex.org/G5861314668","display_name":null,"funder_award_id":"R01 GM118772","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"}],"funders":[{"id":"https://openalex.org/F4320307874","display_name":"Wellcome","ror":"https://ror.org/029chgv08"},{"id":"https://openalex.org/F4320311904","display_name":"Wellcome Trust","ror":"https://ror.org/029chgv08"},{"id":"https://openalex.org/F4320320883","display_name":"Agence Nationale de la Recherche","ror":"https://ror.org/00rbzpz17"},{"id":"https://openalex.org/F4320327337","display_name":"Laboratoire d'Excellence en Recherche sur le M\u00e9dicament et l'Innovation Th\u00e9rapeutique","ror":null},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320337354","display_name":"National Institute of General Medical Sciences","ror":"https://ror.org/04q48ey07"}],"has_content":{"pdf":true,"grobid_xml":false},"content_urls":{"pdf":"https://content.openalex.org/works/W2581330672.pdf"},"referenced_works_count":17,"referenced_works":["https://openalex.org/W1031578623","https://openalex.org/W1651084065","https://openalex.org/W1977255290","https://openalex.org/W2006236890","https://openalex.org/W2028959973","https://openalex.org/W2037788435","https://openalex.org/W2041791898","https://openalex.org/W2045683699","https://openalex.org/W2045873232","https://openalex.org/W2054057711","https://openalex.org/W2060433756","https://openalex.org/W2077684756","https://openalex.org/W2117057011","https://openalex.org/W2118233996","https://openalex.org/W2171571841","https://openalex.org/W2510426927","https://openalex.org/W2521755692"],"related_works":["https://openalex.org/W2058118494","https://openalex.org/W2392768766","https://openalex.org/W2382021449","https://openalex.org/W2095118173","https://openalex.org/W2106424170","https://openalex.org/W1985426483","https://openalex.org/W2501188010","https://openalex.org/W4299935056","https://openalex.org/W2010935248","https://openalex.org/W2768810474"],"abstract_inverted_index":{"SUMMARY:":[0],"Ligandbook":[1,86,105,138],"is":[2,18,106,139],"a":[3,19,127],"public":[4],"database":[5],"and":[6,14,44,60,73,99,111,120],"archive":[7],"for":[8,21],"force":[9],"field":[10],"parameters":[11,54],"of":[12,27,53,80,92,97,132],"small":[13],"drug-like":[15],"molecules.":[16],"It":[17],"repository":[20],"parameter":[22],"sets":[23,40,52],"that":[24],"are":[25,31,55,164],"part":[26],"published":[28],"work":[29],"but":[30],"not":[32],"easily":[33],"available":[34,107,165],"to":[35,64],"the":[36,88,142,150],"community":[37],"otherwise.":[38],"Parameter":[39],"can":[41,117],"be":[42,118],"downloaded":[43,121],"immediately":[45],"used":[46],"in":[47,141],"molecular":[48,94],"dynamics":[49,95],"simulations.":[50],"The":[51],"versioned":[56],"with":[57,146],"full":[58],"histories":[59],"carry":[61],"unique":[62],"identifiers":[63],"facilitate":[65],"reproducible":[66,93],"research.":[67],"Text-based":[68],"search":[69,76],"on":[70],"rich":[71],"metadata":[72],"chemical":[74],"substructure":[75],"allow":[77],"precise":[78],"identification":[79],"desired":[81],"compounds":[82],"or":[83,155],"functional":[84],"groups.":[85],"enables":[87],"rapid":[89],"set":[90],"up":[91],"simulations":[96],"ligands":[98],"protein-ligand":[100],"complexes.":[101],"AVAILABILITY":[102],"AND":[103],"IMPLEMENTATION:":[104],"online":[108],"at":[109,166],"https://ligandbook.org":[110],"supports":[112],"all":[113],"modern":[114],"browsers.":[115],"Parameters":[116],"searched":[119],"without":[122],"registration,":[123],"including":[124],"access":[125],"through":[126],"programmatic":[128],"RESTful":[129],"API.":[130],"Deposition":[131],"files":[133],"requires":[134],"free":[135],"user":[136],"registration.":[137],"implemented":[140],"PHP":[143],"Symfony2":[144],"framework":[145],"TCL":[147],"scripts":[148],"using":[149],"CACTVS":[151],"toolkit.":[152],"CONTACT:":[153],"oliver.beckstein@asu.edu":[154],"bogdan.iorga@cnrs.fr":[156],";":[157],"contact@ligandbook.org":[158],".":[159],"SUPPLEMENTARY":[160],"INFORMATION:":[161],"Supplementary":[162],"data":[163],"Bioinformatics":[167],"online.":[168]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2023,"cited_by_count":5},{"year":2021,"cited_by_count":4},{"year":2020,"cited_by_count":4},{"year":2019,"cited_by_count":4},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1}],"updated_date":"2026-07-02T09:51:11.867554","created_date":"2025-10-10T00:00:00"}
