{"id":"https://openalex.org/W2125082383","doi":"https://doi.org/10.1007/bf00129422","title":"Conformational search by potential energy annealing: Algorithm and application to cyclosporin A","display_name":"Conformational search by potential energy annealing: Algorithm and application to cyclosporin A","publication_year":1992,"publication_date":"1992-04-01","ids":{"openalex":"https://openalex.org/W2125082383","doi":"https://doi.org/10.1007/bf00129422","mag":"2125082383","pmid":"https://pubmed.ncbi.nlm.nih.gov/1624960"},"language":"en","primary_location":{"id":"doi:10.1007/bf00129422","is_oa":false,"landing_page_url":"https://doi.org/10.1007/bf00129422","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/A5028295274","display_name":"Ren\u00e9 C. van Schaik","orcid":null},"institutions":[{"id":"https://openalex.org/I1299319934","display_name":"Rijksmuseum","ror":"https://ror.org/006wjwp03","country_code":"NL","type":"archive","lineage":["https://openalex.org/I1299319934"]},{"id":"https://openalex.org/I169381384","display_name":"University of Groningen","ror":"https://ror.org/012p63287","country_code":"NL","type":"education","lineage":["https://openalex.org/I169381384"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"Ren\u00e9 C. van Schaik","raw_affiliation_strings":["Department of Biophysical Chemistry, Rijksuniversiteit Groningen, The Netherlands","Department of Biophysical Chemistry, Rijksuniversiteit Groningen, Groningen, The Netherlands"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biophysical Chemistry, Rijksuniversiteit Groningen, The Netherlands","institution_ids":["https://openalex.org/I1299319934"]},{"raw_affiliation_string":"Department of Biophysical Chemistry, Rijksuniversiteit Groningen, Groningen, The Netherlands","institution_ids":["https://openalex.org/I169381384"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063856246","display_name":"Wilfred F. van Gunsteren","orcid":"https://orcid.org/0000-0002-9583-7019"},"institutions":[{"id":"https://openalex.org/I35440088","display_name":"ETH Zurich","ror":"https://ror.org/05a28rw58","country_code":"CH","type":"education","lineage":["https://openalex.org/I2799323385","https://openalex.org/I35440088"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Wilfred F. van Gunsteren","raw_affiliation_strings":["Laboratorium f\u00fcr Physikalische Chemie, ETH-Zentrum, CH-8092, Z\u00fcrich, Switzerland","Laboratorium f\u00fcr Physikalische Chemie, ETH-Zentrum, Z\u00fcrich, Switzerland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratorium f\u00fcr Physikalische Chemie, ETH-Zentrum, CH-8092, Z\u00fcrich, Switzerland","institution_ids":["https://openalex.org/I35440088"]},{"raw_affiliation_string":"Laboratorium f\u00fcr Physikalische Chemie, ETH-Zentrum, Z\u00fcrich, Switzerland","institution_ids":["https://openalex.org/I35440088"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5083564020","display_name":"Herman J. C. Berendsen","orcid":null},"institutions":[{"id":"https://openalex.org/I169381384","display_name":"University of Groningen","ror":"https://ror.org/012p63287","country_code":"NL","type":"education","lineage":["https://openalex.org/I169381384"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"Herman J. C. Berendsen","raw_affiliation_strings":["Department of Biophysical Chemistry, Rijksuniversiteit Groningen, Nijenborgh 4, 9747 AG, Groningen, The Netherlands","Department of Biophysical Chemistry, Rijksuniversiteit Groningen, Groningen, The Netherlands"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biophysical Chemistry, Rijksuniversiteit Groningen, Nijenborgh 4, 9747 AG, Groningen, The Netherlands","institution_ids":["https://openalex.org/I169381384"]},{"raw_affiliation_string":"Department of Biophysical Chemistry, Rijksuniversiteit Groningen, Groningen, The Netherlands","institution_ids":["https://openalex.org/I169381384"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":3690,"currency":"USD","value_usd":3690},"apc_paid":null,"fwci":2.097,"has_fulltext":false,"cited_by_count":44,"citation_normalized_percentile":{"value":0.88052151,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"6","issue":"2","first_page":"97","last_page":"112"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9987999796867371,"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":0.9987999796867371,"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/T10521","display_name":"RNA and protein synthesis mechanisms","score":0.9980000257492065,"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/T10683","display_name":"Mass Spectrometry Techniques and Applications","score":0.9979000091552734,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"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/simulated-annealing","display_name":"Simulated annealing","score":0.7699218988418579},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.5491523742675781},{"id":"https://openalex.org/keywords/search-algorithm","display_name":"Search algorithm","score":0.530612051486969},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.5233818292617798},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5012099742889404},{"id":"https://openalex.org/keywords/macromolecule","display_name":"Macromolecule","score":0.48388537764549255},{"id":"https://openalex.org/keywords/energy","display_name":"Energy (signal processing)","score":0.4763075113296509},{"id":"https://openalex.org/keywords/degrees-of-freedom","display_name":"Degrees of freedom (physics and chemistry)","score":0.42914432287216187},{"id":"https://openalex.org/keywords/exponential-growth","display_name":"Exponential growth","score":0.4199199676513672},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.3494349718093872},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.25682637095451355},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.24501287937164307},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.2359728217124939},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.22320204973220825},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.11839604377746582},{"id":"https://openalex.org/keywords/statistics","display_name":"Statistics","score":0.08406981825828552},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.06775110960006714}],"concepts":[{"id":"https://openalex.org/C126980161","wikidata":"https://www.wikidata.org/wiki/Q863783","display_name":"Simulated annealing","level":2,"score":0.7699218988418579},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.5491523742675781},{"id":"https://openalex.org/C125583679","wikidata":"https://www.wikidata.org/wiki/Q755673","display_name":"Search algorithm","level":2,"score":0.530612051486969},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.5233818292617798},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5012099742889404},{"id":"https://openalex.org/C204389451","wikidata":"https://www.wikidata.org/wiki/Q178593","display_name":"Macromolecule","level":2,"score":0.48388537764549255},{"id":"https://openalex.org/C186370098","wikidata":"https://www.wikidata.org/wiki/Q442787","display_name":"Energy (signal processing)","level":2,"score":0.4763075113296509},{"id":"https://openalex.org/C208081375","wikidata":"https://www.wikidata.org/wiki/Q274502","display_name":"Degrees of freedom (physics and chemistry)","level":2,"score":0.42914432287216187},{"id":"https://openalex.org/C75235859","wikidata":"https://www.wikidata.org/wiki/Q582659","display_name":"Exponential growth","level":2,"score":0.4199199676513672},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.3494349718093872},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.25682637095451355},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.24501287937164307},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.2359728217124939},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.22320204973220825},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.11839604377746582},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.08406981825828552},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.06775110960006714},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","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":true},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","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":"D016572","descriptor_name":"Cyclosporine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D016572","descriptor_name":"Cyclosporine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D016572","descriptor_name":"Cyclosporine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1007/bf00129422","is_oa":false,"landing_page_url":"https://doi.org/10.1007/bf00129422","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:1624960","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/1624960","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},{"id":"pmh:oai:pure.rug.nl:openaire_cris_publications/2bd6b169-9115-4ff4-8b62-6af47af03d15","is_oa":false,"landing_page_url":"https://research.rug.nl/en/publications/2bd6b169-9115-4ff4-8b62-6af47af03d15","pdf_url":null,"source":{"id":"https://openalex.org/S4306400420","display_name":"University of Groningen research database (University of Groningen / Centre for Information Technology)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I169381384","host_organization_name":"University of Groningen","host_organization_lineage":["https://openalex.org/I169381384"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"van Schaik, R C, van Gunsteren, W F & Berendsen, H J C 1992, 'Conformational search by potential energy annealing : Algorithm and application to cyclosporin A', Journal of Computer-Aided Molecular Design, vol. 6, no. 2, pp. 97-112. https://doi.org/10.1007/BF00129422","raw_type":"info:eu-repo/semantics/publishedVersion"}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.7599999904632568,"display_name":"Affordable and clean energy","id":"https://metadata.un.org/sdg/7"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":26,"referenced_works":["https://openalex.org/W1531230111","https://openalex.org/W1975914851","https://openalex.org/W1978502680","https://openalex.org/W1986407755","https://openalex.org/W1991884106","https://openalex.org/W1992109326","https://openalex.org/W1993475310","https://openalex.org/W2007458524","https://openalex.org/W2011039300","https://openalex.org/W2011684587","https://openalex.org/W2024060531","https://openalex.org/W2035266068","https://openalex.org/W2044815019","https://openalex.org/W2067395421","https://openalex.org/W2093835465","https://openalex.org/W2098964861","https://openalex.org/W2100566702","https://openalex.org/W2103636724","https://openalex.org/W2106140689","https://openalex.org/W2108711329","https://openalex.org/W2112061538","https://openalex.org/W2115833935","https://openalex.org/W2143954925","https://openalex.org/W2145861340","https://openalex.org/W2152950087","https://openalex.org/W4285719527"],"related_works":["https://openalex.org/W2044014390","https://openalex.org/W1846316342","https://openalex.org/W1964725291","https://openalex.org/W4210447090","https://openalex.org/W1984670152","https://openalex.org/W2083665351","https://openalex.org/W2043468722","https://openalex.org/W2123419409","https://openalex.org/W2003172604","https://openalex.org/W1232705"],"abstract_inverted_index":null,"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2014,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2026-07-23T08:03:31.855105","created_date":"2025-10-10T00:00:00"}