{"id":"https://openalex.org/W1992015970","doi":"https://doi.org/10.1007/s10822-005-9016-0","title":"Protein structure prediction by tempering spatial constraints","display_name":"Protein structure prediction by tempering spatial constraints","publication_year":2005,"publication_date":"2005-08-01","ids":{"openalex":"https://openalex.org/W1992015970","doi":"https://doi.org/10.1007/s10822-005-9016-0","mag":"1992015970","pmid":"https://pubmed.ncbi.nlm.nih.gov/16267688"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-005-9016-0","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-005-9016-0","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":true,"oa_status":"green","oa_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/1473033","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5013884470","display_name":"Dominik Gront","orcid":"https://orcid.org/0000-0002-2260-2083"},"institutions":[{"id":"https://openalex.org/I4654613","display_name":"University of Warsaw","ror":"https://ror.org/039bjqg32","country_code":"PL","type":"education","lineage":["https://openalex.org/I4654613"]},{"id":"https://openalex.org/I11957088","display_name":"Michigan Technological University","ror":"https://ror.org/0036rpn28","country_code":"US","type":"education","lineage":["https://openalex.org/I11957088"]}],"countries":["PL","US"],"is_corresponding":true,"raw_author_name":"Dominik Gront","raw_affiliation_strings":["Department of Physics, Michigan Technological University, Houghton, MI 49931-1295, USA","Michigan Technological University","Warsaw University"],"affiliations":[{"raw_affiliation_string":"Department of Physics, Michigan Technological University, Houghton, MI 49931-1295, USA","institution_ids":["https://openalex.org/I11957088"]},{"raw_affiliation_string":"Michigan Technological University","institution_ids":["https://openalex.org/I11957088"]},{"raw_affiliation_string":"Warsaw University","institution_ids":["https://openalex.org/I4654613"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5025085688","display_name":"Andrzej Koli\u0144ski","orcid":"https://orcid.org/0000-0002-8830-2315"},"institutions":[{"id":"https://openalex.org/I4654613","display_name":"University of Warsaw","ror":"https://ror.org/039bjqg32","country_code":"PL","type":"education","lineage":["https://openalex.org/I4654613"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Andrzej Kolinski","raw_affiliation_strings":["Faculty of Chemistry, Warsaw University, Pasteura 1, 02-093, Warsaw, Poland","Warsaw University"],"affiliations":[{"raw_affiliation_string":"Faculty of Chemistry, Warsaw University, Pasteura 1, 02-093, Warsaw, Poland","institution_ids":["https://openalex.org/I4654613"]},{"raw_affiliation_string":"Warsaw University","institution_ids":["https://openalex.org/I4654613"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5005661488","display_name":"Ulrich H. E. Hansmann","orcid":"https://orcid.org/0000-0002-0700-4835"},"institutions":[{"id":"https://openalex.org/I11957088","display_name":"Michigan Technological University","ror":"https://ror.org/0036rpn28","country_code":"US","type":"education","lineage":["https://openalex.org/I11957088"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ulrich H.E. Hansmann","raw_affiliation_strings":["Department of Physics, Michigan Technological University, Houghton, MI, 49931-1295, USA",", Michigan Technological University"],"affiliations":[{"raw_affiliation_string":"Department of Physics, Michigan Technological University, Houghton, MI, 49931-1295, USA","institution_ids":["https://openalex.org/I11957088"]},{"raw_affiliation_string":", Michigan Technological University","institution_ids":["https://openalex.org/I11957088"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5013884470"],"corresponding_institution_ids":["https://openalex.org/I11957088","https://openalex.org/I4654613"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":0.2521,"has_fulltext":false,"cited_by_count":4,"citation_normalized_percentile":{"value":0.54461828,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"19","issue":"8","first_page":"603","last_page":"608"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9998000264167786,"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":0.9998000264167786,"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/T11162","display_name":"Enzyme Structure and Function","score":0.9943000078201294,"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":0.989300012588501,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/maxima-and-minima","display_name":"Maxima and minima","score":0.8398245573043823},{"id":"https://openalex.org/keywords/tempering","display_name":"Tempering","score":0.753156840801239},{"id":"https://openalex.org/keywords/parallel-tempering","display_name":"Parallel tempering","score":0.6951826810836792},{"id":"https://openalex.org/keywords/sampling","display_name":"Sampling (signal processing)","score":0.6735059022903442},{"id":"https://openalex.org/keywords/protein-structure-prediction","display_name":"Protein structure prediction","score":0.589232861995697},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.516862690448761},{"id":"https://openalex.org/keywords/energy","display_name":"Energy (signal processing)","score":0.5066433548927307},{"id":"https://openalex.org/keywords/work","display_name":"Work (physics)","score":0.5016987323760986},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.3884879946708679},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.38524818420410156},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.35565096139907837},{"id":"https://openalex.org/keywords/mathematical-optimization","display_name":"Mathematical optimization","score":0.3409740626811981},{"id":"https://openalex.org/keywords/protein-structure","display_name":"Protein structure","score":0.27620503306388855},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.22164112329483032},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.212528258562088},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.17274880409240723},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.14027893543243408},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.13724854588508606},{"id":"https://openalex.org/keywords/statistics","display_name":"Statistics","score":0.13542690873146057},{"id":"https://openalex.org/keywords/nuclear-magnetic-resonance","display_name":"Nuclear magnetic resonance","score":0.07069122791290283},{"id":"https://openalex.org/keywords/mechanical-engineering","display_name":"Mechanical engineering","score":0.06331309676170349}],"concepts":[{"id":"https://openalex.org/C186633575","wikidata":"https://www.wikidata.org/wiki/Q845060","display_name":"Maxima and minima","level":2,"score":0.8398245573043823},{"id":"https://openalex.org/C207948433","wikidata":"https://www.wikidata.org/wiki/Q685487","display_name":"Tempering","level":2,"score":0.753156840801239},{"id":"https://openalex.org/C187653413","wikidata":"https://www.wikidata.org/wiki/Q7135015","display_name":"Parallel tempering","level":5,"score":0.6951826810836792},{"id":"https://openalex.org/C140779682","wikidata":"https://www.wikidata.org/wiki/Q210868","display_name":"Sampling (signal processing)","level":3,"score":0.6735059022903442},{"id":"https://openalex.org/C18051474","wikidata":"https://www.wikidata.org/wiki/Q899656","display_name":"Protein structure prediction","level":3,"score":0.589232861995697},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.516862690448761},{"id":"https://openalex.org/C186370098","wikidata":"https://www.wikidata.org/wiki/Q442787","display_name":"Energy (signal processing)","level":2,"score":0.5066433548927307},{"id":"https://openalex.org/C18762648","wikidata":"https://www.wikidata.org/wiki/Q42213","display_name":"Work (physics)","level":2,"score":0.5016987323760986},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.3884879946708679},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.38524818420410156},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.35565096139907837},{"id":"https://openalex.org/C126255220","wikidata":"https://www.wikidata.org/wiki/Q141495","display_name":"Mathematical optimization","level":1,"score":0.3409740626811981},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.27620503306388855},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.22164112329483032},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.212528258562088},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.17274880409240723},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.14027893543243408},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.13724854588508606},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.13542690873146057},{"id":"https://openalex.org/C46141821","wikidata":"https://www.wikidata.org/wiki/Q209402","display_name":"Nuclear magnetic resonance","level":1,"score":0.07069122791290283},{"id":"https://openalex.org/C78519656","wikidata":"https://www.wikidata.org/wiki/Q101333","display_name":"Mechanical engineering","level":1,"score":0.06331309676170349},{"id":"https://openalex.org/C107673813","wikidata":"https://www.wikidata.org/wiki/Q812534","display_name":"Bayesian probability","level":2,"score":0.0},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.0},{"id":"https://openalex.org/C111350023","wikidata":"https://www.wikidata.org/wiki/Q1191869","display_name":"Markov chain Monte Carlo","level":3,"score":0.0},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.0},{"id":"https://openalex.org/C31972630","wikidata":"https://www.wikidata.org/wiki/Q844240","display_name":"Computer vision","level":1,"score":0.0},{"id":"https://openalex.org/C37669827","wikidata":"https://www.wikidata.org/wiki/Q6904703","display_name":"Monte Carlo molecular modeling","level":4,"score":0.0},{"id":"https://openalex.org/C106131492","wikidata":"https://www.wikidata.org/wiki/Q3072260","display_name":"Filter (signal processing)","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","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":true},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D009010","descriptor_name":"Monte Carlo Method","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009010","descriptor_name":"Monte Carlo Method","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009010","descriptor_name":"Monte Carlo Method","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":true},{"descriptor_ui":"D011487","descriptor_name":"Protein 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":true},{"descriptor_ui":"D013696","descriptor_name":"Temperature","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013696","descriptor_name":"Temperature","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013696","descriptor_name":"Temperature","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1007/s10822-005-9016-0","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-005-9016-0","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:16267688","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/16267688","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:digitalcommons.mtu.edu:michigantech-p-24214","is_oa":false,"landing_page_url":"https://digitalcommons.mtu.edu/michigantech-p/4912","pdf_url":null,"source":{"id":"https://openalex.org/S4377196391","display_name":"Digital Commons - Michigan Tech (Michigan Technological University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I11957088","host_organization_name":"Michigan Technological University","host_organization_lineage":["https://openalex.org/I11957088"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Michigan Tech Publications, Part 1","raw_type":"text"},{"id":"pmh:oai:pubmedcentral.nih.gov:1473033","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/1473033","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Comput Aided Mol Des","raw_type":"Text"}],"best_oa_location":{"id":"pmh:oai:pubmedcentral.nih.gov:1473033","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/1473033","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Comput Aided Mol Des","raw_type":"Text"},"sustainable_development_goals":[{"score":0.8899999856948853,"id":"https://metadata.un.org/sdg/7","display_name":"Affordable and clean energy"}],"awards":[],"funders":[{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":10,"referenced_works":["https://openalex.org/W1536169030","https://openalex.org/W1965351956","https://openalex.org/W1989228404","https://openalex.org/W2026478054","https://openalex.org/W2055648985","https://openalex.org/W2100627460","https://openalex.org/W2104759327","https://openalex.org/W2128577591","https://openalex.org/W2133808736","https://openalex.org/W3104163644"],"related_works":["https://openalex.org/W2365560312","https://openalex.org/W2520473118","https://openalex.org/W2152667170","https://openalex.org/W1990585732","https://openalex.org/W2023834897","https://openalex.org/W2806107463","https://openalex.org/W2963422692","https://openalex.org/W1703930361","https://openalex.org/W2391031962","https://openalex.org/W2352721354"],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2026-03-20T23:20:44.827607","created_date":"2025-10-10T00:00:00"}