{"id":"https://openalex.org/W1785950424","doi":"https://doi.org/10.1007/978-3-540-85557-6_7","title":"Molecular Models to Emulate Confinement Effects on the Internal Dynamics of Organophosphorous Hydrolase","display_name":"Molecular Models to Emulate Confinement Effects on the Internal Dynamics of Organophosphorous Hydrolase","publication_year":2008,"publication_date":"2008-08-27","ids":{"openalex":"https://openalex.org/W1785950424","doi":"https://doi.org/10.1007/978-3-540-85557-6_7","mag":"1785950424"},"language":"en","primary_location":{"id":"doi:10.1007/978-3-540-85557-6_7","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-540-85557-6_7","pdf_url":null,"source":{"id":"https://openalex.org/S106296714","display_name":"Lecture notes in computer science","issn_l":"0302-9743","issn":["0302-9743","1611-3349"],"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":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Lecture Notes in Computer Science","raw_type":"book-chapter"},"type":"book-chapter","indexed_in":["crossref"],"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/A5008576911","display_name":"Diego E. B. Gomes","orcid":"https://orcid.org/0000-0003-4855-040X"},"institutions":[{"id":"https://openalex.org/I122140584","display_name":"Universidade Federal do Rio de Janeiro","ror":"https://ror.org/03490as77","country_code":"BR","type":"education","lineage":["https://openalex.org/I122140584"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Diego E. B. Gomes","raw_affiliation_strings":["Instituto de Biof\u00edsica Carlos Chagas Filho, Universidade Federal do Rio de Janeiro, RJ, 21949-900, Brazil","Instituto de Biof\u00edsica Carlos Chagas Filho, Universidade Federal do Rio de Janeiro, Brazil 21949-900#TAB#"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Instituto de Biof\u00edsica Carlos Chagas Filho, Universidade Federal do Rio de Janeiro, RJ, 21949-900, Brazil","institution_ids":["https://openalex.org/I122140584"]},{"raw_affiliation_string":"Instituto de Biof\u00edsica Carlos Chagas Filho, Universidade Federal do Rio de Janeiro, Brazil 21949-900#TAB#","institution_ids":["https://openalex.org/I122140584"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5000264971","display_name":"Roberto D. Lins","orcid":"https://orcid.org/0000-0002-3983-8025"},"institutions":[{"id":"https://openalex.org/I142606810","display_name":"Pacific Northwest National Laboratory","ror":"https://ror.org/05h992307","country_code":"US","type":"facility","lineage":["https://openalex.org/I1325736334","https://openalex.org/I1330989302","https://openalex.org/I142606810","https://openalex.org/I39565521"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Roberto D. Lins","raw_affiliation_strings":["Computational Science and Mathematics Division, Pacific Northwest National Laboratory, \u00a0, P.O. Box 999, MSIN K7-90, Richland, WA 99352,","Computational Science and Mathematics Division, Pacific Northwest National Laboratory, , Richland, WA 99352#TAB#"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computational Science and Mathematics Division, Pacific Northwest National Laboratory, \u00a0, P.O. Box 999, MSIN K7-90, Richland, WA 99352,","institution_ids":["https://openalex.org/I142606810"]},{"raw_affiliation_string":"Computational Science and Mathematics Division, Pacific Northwest National Laboratory, , Richland, WA 99352#TAB#","institution_ids":["https://openalex.org/I142606810"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5072006546","display_name":"Pedro G. Pascutti","orcid":"https://orcid.org/0000-0002-5454-560X"},"institutions":[{"id":"https://openalex.org/I122140584","display_name":"Universidade Federal do Rio de Janeiro","ror":"https://ror.org/03490as77","country_code":"BR","type":"education","lineage":["https://openalex.org/I122140584"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Pedro G. Pascutti","raw_affiliation_strings":["Instituto de Biof\u00edsica Carlos Chagas Filho, Universidade Federal do Rio de Janeiro, RJ, 21949-900, Brazil","Instituto de Biof\u00edsica Carlos Chagas Filho, Universidade Federal do Rio de Janeiro, Brazil 21949-900#TAB#"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Instituto de Biof\u00edsica Carlos Chagas Filho, Universidade Federal do Rio de Janeiro, RJ, 21949-900, Brazil","institution_ids":["https://openalex.org/I122140584"]},{"raw_affiliation_string":"Instituto de Biof\u00edsica Carlos Chagas Filho, Universidade Federal do Rio de Janeiro, Brazil 21949-900#TAB#","institution_ids":["https://openalex.org/I122140584"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037736330","display_name":"Tjerk P. Straatsma","orcid":"https://orcid.org/0000-0002-7425-9715"},"institutions":[{"id":"https://openalex.org/I142606810","display_name":"Pacific Northwest National Laboratory","ror":"https://ror.org/05h992307","country_code":"US","type":"facility","lineage":["https://openalex.org/I1325736334","https://openalex.org/I1330989302","https://openalex.org/I142606810","https://openalex.org/I39565521"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Tjerk P. Straatsma","raw_affiliation_strings":["Computational Science and Mathematics Division, Pacific Northwest National Laboratory, \u00a0, P.O. Box 999, MSIN K7-90, Richland, WA 99352,","Computational Science and Mathematics Division, Pacific Northwest National Laboratory, , Richland, WA 99352#TAB#"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computational Science and Mathematics Division, Pacific Northwest National Laboratory, \u00a0, P.O. Box 999, MSIN K7-90, Richland, WA 99352,","institution_ids":["https://openalex.org/I142606810"]},{"raw_affiliation_string":"Computational Science and Mathematics Division, Pacific Northwest National Laboratory, , Richland, WA 99352#TAB#","institution_ids":["https://openalex.org/I142606810"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5086065566","display_name":"Thereza A. Soares","orcid":"https://orcid.org/0000-0002-5891-6906"},"institutions":[{"id":"https://openalex.org/I142606810","display_name":"Pacific Northwest National Laboratory","ror":"https://ror.org/05h992307","country_code":"US","type":"facility","lineage":["https://openalex.org/I1325736334","https://openalex.org/I1330989302","https://openalex.org/I142606810","https://openalex.org/I39565521"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Thereza A. Soares","raw_affiliation_strings":["Computational Science and Mathematics Division, Pacific Northwest National Laboratory, \u00a0, P.O. Box 999, MSIN K7-90, Richland, WA 99352,","Computational Science and Mathematics Division, Pacific Northwest National Laboratory, , Richland, WA 99352#TAB#"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computational Science and Mathematics Division, Pacific Northwest National Laboratory, \u00a0, P.O. Box 999, MSIN K7-90, Richland, WA 99352,","institution_ids":["https://openalex.org/I142606810"]},{"raw_affiliation_string":"Computational Science and Mathematics Division, Pacific Northwest National Laboratory, , Richland, WA 99352#TAB#","institution_ids":["https://openalex.org/I142606810"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":5,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":5000,"currency":"EUR","value_usd":5392},"apc_paid":null,"fwci":4.3018,"has_fulltext":false,"cited_by_count":4,"citation_normalized_percentile":{"value":0.95433415,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":90,"max":94},"biblio":{"volume":null,"issue":null,"first_page":"68","last_page":"78"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.9987999796867371,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.9987999796867371,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10303","display_name":"Photosynthetic Processes and Mechanisms","score":0.9987000226974487,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9977999925613403,"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/hydrolase","display_name":"Hydrolase","score":0.8236943483352661},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.6870108246803284},{"id":"https://openalex.org/keywords/nanocages","display_name":"Nanocages","score":0.4509470462799072},{"id":"https://openalex.org/keywords/dynamics","display_name":"Dynamics (music)","score":0.44844892621040344},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.4327702522277832},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.40246641635894775},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.34946033358573914},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.3485366702079773},{"id":"https://openalex.org/keywords/nanotechnology","display_name":"Nanotechnology","score":0.3347969651222229},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.32450082898139954},{"id":"https://openalex.org/keywords/catalysis","display_name":"Catalysis","score":0.28825241327285767},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.2842375338077545},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.1860351264476776},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.1333160102367401},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.1070128083229065},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.09582686424255371}],"concepts":[{"id":"https://openalex.org/C2780120296","wikidata":"https://www.wikidata.org/wiki/Q96286","display_name":"Hydrolase","level":3,"score":0.8236943483352661},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.6870108246803284},{"id":"https://openalex.org/C128355301","wikidata":"https://www.wikidata.org/wiki/Q6964001","display_name":"Nanocages","level":3,"score":0.4509470462799072},{"id":"https://openalex.org/C145912823","wikidata":"https://www.wikidata.org/wiki/Q113558","display_name":"Dynamics (music)","level":2,"score":0.44844892621040344},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.4327702522277832},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.40246641635894775},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.34946033358573914},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3485366702079773},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.3347969651222229},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.32450082898139954},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.28825241327285767},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.2842375338077545},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.1860351264476776},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.1333160102367401},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.1070128083229065},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.09582686424255371},{"id":"https://openalex.org/C24890656","wikidata":"https://www.wikidata.org/wiki/Q82811","display_name":"Acoustics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1007/978-3-540-85557-6_7","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-540-85557-6_7","pdf_url":null,"source":{"id":"https://openalex.org/S106296714","display_name":"Lecture notes in computer science","issn_l":"0302-9743","issn":["0302-9743","1611-3349"],"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":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Lecture Notes in Computer Science","raw_type":"book-chapter"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":29,"referenced_works":["https://openalex.org/W1574816328","https://openalex.org/W1963485224","https://openalex.org/W1966736537","https://openalex.org/W1968362277","https://openalex.org/W1972165081","https://openalex.org/W1974658117","https://openalex.org/W1980244533","https://openalex.org/W1985767604","https://openalex.org/W1995445765","https://openalex.org/W2001773296","https://openalex.org/W2006263216","https://openalex.org/W2007074187","https://openalex.org/W2009482387","https://openalex.org/W2014699872","https://openalex.org/W2029582401","https://openalex.org/W2046339942","https://openalex.org/W2049747350","https://openalex.org/W2059164257","https://openalex.org/W2060267025","https://openalex.org/W2062110094","https://openalex.org/W2080613348","https://openalex.org/W2086795417","https://openalex.org/W2097518950","https://openalex.org/W2112703249","https://openalex.org/W2115352367","https://openalex.org/W2122199548","https://openalex.org/W2122802861","https://openalex.org/W2123768693","https://openalex.org/W4252474431"],"related_works":["https://openalex.org/W2327770564","https://openalex.org/W1594782001","https://openalex.org/W2060662791","https://openalex.org/W2990359859","https://openalex.org/W2435155211","https://openalex.org/W4386001256","https://openalex.org/W1999392193","https://openalex.org/W2544425202","https://openalex.org/W4213199948","https://openalex.org/W1773535258"],"abstract_inverted_index":null,"counts_by_year":[{"year":2013,"cited_by_count":1}],"updated_date":"2026-06-11T09:08:48.828518","created_date":"2025-10-10T00:00:00"}