{"id":"https://openalex.org/W2057017440","doi":"https://doi.org/10.1007/s10822-010-9355-3","title":"Analysis of SM8 and Zap TK calculations and their geometric sensitivity","display_name":"Analysis of SM8 and Zap TK calculations and their geometric sensitivity","publication_year":2010,"publication_date":"2010-04-01","ids":{"openalex":"https://openalex.org/W2057017440","doi":"https://doi.org/10.1007/s10822-010-9355-3","mag":"2057017440","pmid":"https://pubmed.ncbi.nlm.nih.gov/20432055"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-010-9355-3","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-010-9355-3","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/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},"type":"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/A5054194566","display_name":"Benjamin A. Ellingson","orcid":null},"institutions":[{"id":"https://openalex.org/I4210106217","display_name":"OpenEye (Sweden)","ror":"https://ror.org/019r2ty74","country_code":"SE","type":"company","lineage":["https://openalex.org/I4210106217"]},{"id":"https://openalex.org/I4210133635","display_name":"Federal State Scientific Institution Research Institute of Eye Diseases","ror":"https://ror.org/0422tyr14","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210110862","https://openalex.org/I4210133635"]}],"countries":["RU","SE"],"is_corresponding":true,"raw_author_name":"Benjamin A. Ellingson","raw_affiliation_strings":["OpenEye Scientific Software, Santa Fe, NM 87508, USA. ben@eyesopen.com","OpenEye Scientific Software"],"affiliations":[{"raw_affiliation_string":"OpenEye Scientific Software, Santa Fe, NM 87508, USA. ben@eyesopen.com","institution_ids":["https://openalex.org/I4210133635"]},{"raw_affiliation_string":"OpenEye Scientific Software","institution_ids":["https://openalex.org/I4210106217"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5047546337","display_name":"A. Geoffrey Skillman","orcid":null},"institutions":[{"id":"https://openalex.org/I4210106217","display_name":"OpenEye (Sweden)","ror":"https://ror.org/019r2ty74","country_code":"SE","type":"company","lineage":["https://openalex.org/I4210106217"]},{"id":"https://openalex.org/I4210158493","display_name":"Open Source Science Project","ror":"https://ror.org/0523sbv14","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I4210158493"]}],"countries":["SE","US"],"is_corresponding":false,"raw_author_name":"A. Geoffrey Skillman","raw_affiliation_strings":["OpenEye Scientific Software, Santa Fe, NM, USA","OpenEye Scientific Software"],"affiliations":[{"raw_affiliation_string":"OpenEye Scientific Software, Santa Fe, NM, USA","institution_ids":["https://openalex.org/I4210158493"]},{"raw_affiliation_string":"OpenEye Scientific Software","institution_ids":["https://openalex.org/I4210106217"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5102879646","display_name":"Anthony Nicholls","orcid":"https://orcid.org/0000-0001-8488-9641"},"institutions":[{"id":"https://openalex.org/I4210158493","display_name":"Open Source Science Project","ror":"https://ror.org/0523sbv14","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I4210158493"]},{"id":"https://openalex.org/I4210106217","display_name":"OpenEye (Sweden)","ror":"https://ror.org/019r2ty74","country_code":"SE","type":"company","lineage":["https://openalex.org/I4210106217"]}],"countries":["SE","US"],"is_corresponding":false,"raw_author_name":"Anthony Nicholls","raw_affiliation_strings":["OpenEye Scientific Software, Santa Fe, NM, USA","OpenEye Scientific Software"],"affiliations":[{"raw_affiliation_string":"OpenEye Scientific Software, Santa Fe, NM, USA","institution_ids":["https://openalex.org/I4210158493"]},{"raw_affiliation_string":"OpenEye Scientific Software","institution_ids":["https://openalex.org/I4210106217"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5054194566"],"corresponding_institution_ids":["https://openalex.org/I4210106217","https://openalex.org/I4210133635"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":2.2448,"has_fulltext":false,"cited_by_count":11,"citation_normalized_percentile":{"value":0.87585221,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"24","issue":"4","first_page":"335","last_page":"342"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11583","display_name":"Advanced Measurement and Metrology Techniques","score":0.9573000073432922,"subfield":{"id":"https://openalex.org/subfields/2210","display_name":"Mechanical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11583","display_name":"Advanced Measurement and Metrology Techniques","score":0.9573000073432922,"subfield":{"id":"https://openalex.org/subfields/2210","display_name":"Mechanical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11808","display_name":"Superconducting Materials and Applications","score":0.9394999742507935,"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/sensitivity","display_name":"Sensitivity (control systems)","score":0.7691828608512878},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.3837951123714447},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.1100415289402008},{"id":"https://openalex.org/keywords/electronic-engineering","display_name":"Electronic engineering","score":0.04908597469329834}],"concepts":[{"id":"https://openalex.org/C21200559","wikidata":"https://www.wikidata.org/wiki/Q7451068","display_name":"Sensitivity (control systems)","level":2,"score":0.7691828608512878},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.3837951123714447},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.1100415289402008},{"id":"https://openalex.org/C24326235","wikidata":"https://www.wikidata.org/wiki/Q126095","display_name":"Electronic engineering","level":1,"score":0.04908597469329834}],"mesh":[{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D005947","descriptor_name":"Glucose","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D005947","descriptor_name":"Glucose","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D005947","descriptor_name":"Glucose","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009930","descriptor_name":"Organic Chemicals","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D009930","descriptor_name":"Organic Chemicals","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D009930","descriptor_name":"Organic Chemicals","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D012995","descriptor_name":"Solubility","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012995","descriptor_name":"Solubility","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012995","descriptor_name":"Solubility","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1007/s10822-010-9355-3","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-010-9355-3","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/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:20432055","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/20432055","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":"Journal of computer-aided molecular design","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.49000000953674316,"id":"https://metadata.un.org/sdg/13","display_name":"Climate action"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":19,"referenced_works":["https://openalex.org/W1494127609","https://openalex.org/W1579594936","https://openalex.org/W1966363041","https://openalex.org/W1971209681","https://openalex.org/W2015873117","https://openalex.org/W2022950330","https://openalex.org/W2037535298","https://openalex.org/W2045304149","https://openalex.org/W2049996223","https://openalex.org/W2058611579","https://openalex.org/W2071579644","https://openalex.org/W2072683434","https://openalex.org/W2082259277","https://openalex.org/W2109816957","https://openalex.org/W2121684767","https://openalex.org/W2125259227","https://openalex.org/W2147421370","https://openalex.org/W2150697053","https://openalex.org/W3011425226"],"related_works":["https://openalex.org/W2935759653","https://openalex.org/W3105167352","https://openalex.org/W54078636","https://openalex.org/W2954470139","https://openalex.org/W1501425562","https://openalex.org/W2902782467","https://openalex.org/W3084825885","https://openalex.org/W2298861036","https://openalex.org/W3148032049","https://openalex.org/W2271181815"],"abstract_inverted_index":null,"counts_by_year":[{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":2},{"year":2014,"cited_by_count":3},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2026-01-13T01:12:25.745995","created_date":"2025-10-10T00:00:00"}
