{"id":"https://openalex.org/W2908770773","doi":"https://doi.org/10.1134/s0022476618080292","title":"Parallel Computations in the Development of Thermostable Lipase Mutants","display_name":"Parallel Computations in the Development of Thermostable Lipase Mutants","publication_year":2018,"publication_date":"2018-01-01","ids":{"openalex":"https://openalex.org/W2908770773","doi":"https://doi.org/10.1134/s0022476618080292","mag":"2908770773"},"language":"en","primary_location":{"id":"doi:10.1134/s0022476618080292","doi":"https://doi.org/10.1134/s0022476618080292","is_oa":false,"landing_page_url":"https://doi.org/10.1134/s0022476618080292","pdf_url":null,"source":{"id":"https://openalex.org/S111479809","display_name":"Journal of Structural Chemistry","issn_l":"0022-4766","issn":["0022-4766","1573-8779"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","norway-1","poland-40","russia-white-list-3"],"host_organization":"https://openalex.org/P4310320267","host_organization_name":"Pleiades Publishing","host_organization_lineage":["https://openalex.org/P4310320267","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Pleiades Publishing","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Structural Chemistry","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"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/A5034416211","display_name":"Maxim S. Kondratyev","orcid":"https://orcid.org/0000-0001-6717-4206","observed_orcids":["https://orcid.org/0000-0001-6717-4206"]},"institutions":[{"id":"https://openalex.org/I1313323035","display_name":"Russian Academy of Sciences","ror":"https://ror.org/05qrfxd25","country_code":"RU","type":"government","lineage":["https://openalex.org/I1313323035"]},{"id":"https://openalex.org/I4210155801","display_name":"Institute of Cell Biophysics","ror":"https://ror.org/05gbnpz65","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210129690","https://openalex.org/I4210155801"]}],"countries":["RU"],"is_corresponding":true,"raw_author_name":"M. S. Kondratyev","raw_affiliation_strings":["Institute of Cell Biophysics, Russian Academy of Sciences, Pushchino, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Cell Biophysics, Russian Academy of Sciences, Pushchino, Russia","institution_ids":["https://openalex.org/I1313323035","https://openalex.org/I4210155801"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049306066","display_name":"Artem V. Kabanov","orcid":"https://orcid.org/0000-0002-2277-0263","observed_orcids":["https://orcid.org/0000-0002-2277-0263"]},"institutions":[{"id":"https://openalex.org/I1313323035","display_name":"Russian Academy of Sciences","ror":"https://ror.org/05qrfxd25","country_code":"RU","type":"government","lineage":["https://openalex.org/I1313323035"]},{"id":"https://openalex.org/I4210155801","display_name":"Institute of Cell Biophysics","ror":"https://ror.org/05gbnpz65","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210129690","https://openalex.org/I4210155801"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"A. V. Kabanov","raw_affiliation_strings":["Institute of Cell Biophysics, Russian Academy of Sciences, Pushchino, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Cell Biophysics, Russian Academy of Sciences, Pushchino, Russia","institution_ids":["https://openalex.org/I1313323035","https://openalex.org/I4210155801"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049348494","display_name":"Alexander A. Samchenko","orcid":"https://orcid.org/0000-0002-9309-0177","observed_orcids":["https://orcid.org/0000-0002-9309-0177"]},"institutions":[{"id":"https://openalex.org/I1313323035","display_name":"Russian Academy of Sciences","ror":"https://ror.org/05qrfxd25","country_code":"RU","type":"government","lineage":["https://openalex.org/I1313323035"]},{"id":"https://openalex.org/I4210155801","display_name":"Institute of Cell Biophysics","ror":"https://ror.org/05gbnpz65","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210129690","https://openalex.org/I4210155801"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"A. A. Samchenko","raw_affiliation_strings":["Institute of Cell Biophysics, Russian Academy of Sciences, Pushchino, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Cell Biophysics, Russian Academy of Sciences, Pushchino, Russia","institution_ids":["https://openalex.org/I1313323035","https://openalex.org/I4210155801"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037606284","display_name":"Vladislav Mikhailovich Komarov","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I1313323035","display_name":"Russian Academy of Sciences","ror":"https://ror.org/05qrfxd25","country_code":"RU","type":"government","lineage":["https://openalex.org/I1313323035"]},{"id":"https://openalex.org/I4210155801","display_name":"Institute of Cell Biophysics","ror":"https://ror.org/05gbnpz65","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210129690","https://openalex.org/I4210155801"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"V. M. Komarov","raw_affiliation_strings":["Institute of Cell Biophysics, Russian Academy of Sciences, Pushchino, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Cell Biophysics, Russian Academy of Sciences, Pushchino, Russia","institution_ids":["https://openalex.org/I1313323035","https://openalex.org/I4210155801"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5111594291","display_name":"\u041d. \u041d. \u0425\u0435\u0447\u0438\u043d\u0430\u0448\u0432\u0438\u043b\u0438","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I1313323035","display_name":"Russian Academy of Sciences","ror":"https://ror.org/05qrfxd25","country_code":"RU","type":"government","lineage":["https://openalex.org/I1313323035"]},{"id":"https://openalex.org/I4210155801","display_name":"Institute of Cell Biophysics","ror":"https://ror.org/05gbnpz65","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210129690","https://openalex.org/I4210155801"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"N. N. Khechinashvili","raw_affiliation_strings":["Institute of Cell Biophysics, Russian Academy of Sciences, Pushchino, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Cell Biophysics, Russian Academy of Sciences, Pushchino, Russia","institution_ids":["https://openalex.org/I1313323035","https://openalex.org/I4210155801"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5034416211"],"corresponding_institution_ids":["https://openalex.org/I1313323035","https://openalex.org/I4210155801"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.12697977,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":93},"biblio":{"volume":"59","issue":"8","first_page":"1974","last_page":"1979"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.6304000020027161,"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":0.6304000020027161,"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/T10404","display_name":"Enzyme Catalysis and Immobilization","score":0.358599990606308,"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/T11617","display_name":"Enzyme Production and Characterization","score":0.003700000001117587,"subfield":{"id":"https://openalex.org/subfields/1305","display_name":"Biotechnology"},"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/thermostable-lipase","display_name":"thermostable lipase","score":0.7990000247955322},{"id":"https://openalex.org/keywords/lipa","display_name":"LIPA","score":0.8389999866485596},{"id":"https://openalex.org/keywords/enzyme-mutants","display_name":"enzyme mutants","score":0.5830000042915344},{"id":"https://openalex.org/keywords/thermal-stability","display_name":"thermal stability","score":0.8889999985694885},{"id":"https://openalex.org/keywords/conformational-dynamics","display_name":"conformational dynamics","score":0.9279999732971191},{"id":"https://openalex.org/keywords/polylactic-acid","display_name":"polylactic acid","score":0.7070000171661377},{"id":"https://openalex.org/keywords/parallel-computing","display_name":"parallel computing","score":0.7649999856948853},{"id":"https://openalex.org/keywords/point-mutations","display_name":"point mutations","score":0.6060000061988831},{"id":"https://openalex.org/keywords/enzyme-activity","display_name":"enzyme activity","score":0.4749999940395355}],"concepts":[{"id":"https://openalex.org/C2781216036","wikidata":"https://www.wikidata.org/wiki/Q902494","display_name":"Thermostability","level":3,"score":0.9716596603393555},{"id":"https://openalex.org/C2779697368","wikidata":"https://www.wikidata.org/wiki/Q380967","display_name":"Lipase","level":3,"score":0.8686107993125916},{"id":"https://openalex.org/C143065580","wikidata":"https://www.wikidata.org/wiki/Q3285695","display_name":"Mutant","level":3,"score":0.6635444164276123},{"id":"https://openalex.org/C2781162966","wikidata":"https://www.wikidata.org/wiki/Q413769","display_name":"Polylactic acid","level":3,"score":0.6435747742652893},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.6383726596832275},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.6084911227226257},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5254297256469727},{"id":"https://openalex.org/C2994376932","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Amino acid residue","level":4,"score":0.5095927715301514},{"id":"https://openalex.org/C515207424","wikidata":"https://www.wikidata.org/wiki/Q8066","display_name":"Amino acid","level":2,"score":0.4641716480255127},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.40717893838882446},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.2055368721485138},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.19029060006141663},{"id":"https://openalex.org/C167625842","wikidata":"https://www.wikidata.org/wiki/Q899763","display_name":"Peptide sequence","level":3,"score":0.17160847783088684},{"id":"https://openalex.org/C521977710","wikidata":"https://www.wikidata.org/wiki/Q81163","display_name":"Polymer","level":2,"score":0.06265747547149658},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1134/s0022476618080292","doi":"https://doi.org/10.1134/s0022476618080292","is_oa":false,"landing_page_url":"https://doi.org/10.1134/s0022476618080292","pdf_url":null,"source":{"id":"https://openalex.org/S111479809","display_name":"Journal of Structural Chemistry","issn_l":"0022-4766","issn":["0022-4766","1573-8779"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","norway-1","poland-40","russia-white-list-3"],"host_organization":"https://openalex.org/P4310320267","host_organization_name":"Pleiades Publishing","host_organization_lineage":["https://openalex.org/P4310320267","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Pleiades Publishing","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Structural Chemistry","raw_type":"journal-article"},{"id":"doi:10.26902/jsc20180829","doi":"https://doi.org/10.26902/jsc20180829","is_oa":false,"landing_page_url":"https://doi.org/10.26902/jsc20180829","pdf_url":null,"source":{"id":"https://openalex.org/S4210204189","display_name":"\u0416\u0443\u0440\u043d\u0430\u043b \u0441\u0442\u0440\u0443\u043a\u0442\u0443\u0440\u043d\u043e\u0439 \u0445\u0438\u043c\u0438\u0438","issn_l":"0136-7463","issn":["0136-7463","2542-0976"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":["russia-white-list-1"],"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":"\u0416\u0443\u0440\u043d\u0430\u043b \u0441\u0442\u0440\u0443\u043a\u0442\u0443\u0440\u043d\u043e\u0439 \u0445\u0438\u043c\u0438\u0438","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":27,"referenced_works":["https://openalex.org/W1247472527","https://openalex.org/W1973858832","https://openalex.org/W1981895488","https://openalex.org/W1984853348","https://openalex.org/W1991791390","https://openalex.org/W2001143796","https://openalex.org/W2015642465","https://openalex.org/W2029667189","https://openalex.org/W2042181696","https://openalex.org/W2052835544","https://openalex.org/W2065963893","https://openalex.org/W2067251835","https://openalex.org/W2067501709","https://openalex.org/W2073532427","https://openalex.org/W2082331849","https://openalex.org/W2094817406","https://openalex.org/W2101943401","https://openalex.org/W2106913547","https://openalex.org/W2107150350","https://openalex.org/W2124230467","https://openalex.org/W2150981663","https://openalex.org/W2151658471","https://openalex.org/W2159034455","https://openalex.org/W2166103682","https://openalex.org/W2361164718","https://openalex.org/W2560402682","https://openalex.org/W4214652837"],"related_works":["https://openalex.org/W2317984710","https://openalex.org/W2765246063","https://openalex.org/W2351743066","https://openalex.org/W6990702555","https://openalex.org/W2527216553","https://openalex.org/W4411540693","https://openalex.org/W2282091342","https://openalex.org/W3084517041","https://openalex.org/W4315928821","https://openalex.org/W7056254767"],"abstract_inverted_index":{"The":[0],"advanced":[1],"high":[2],"performance":[3],"computing":[4],"methods":[5],"are":[6,70],"used":[7],"to":[8],"study":[9,65],"the":[10,16,24,36,39,49,59,62],"stability":[11],"and":[12,23,46],"conformational":[13],"dynamics":[14,42],"of":[15,38,43,61],"bacterial":[17],"enzyme":[18,27],"lipase":[19],"LipA,":[20],"its":[21],"mutants,":[22],"close":[25],"homologous":[26],"CLE":[28],"whose":[29,53],"substrate":[30],"is":[31],"polylactic":[32],"acid-based":[33],"plastics.":[34],"From":[35],"analysis":[37],"GPU":[40],"molecular":[41],"native":[44],"lipases":[45],"their":[47,68],"mutants":[48],"amino":[50],"acid":[51],"residues":[52],"point":[54],"substitutions":[55],"can":[56],"markedly":[57],"improve":[58],"thermostability":[60],"enzymes":[63],"under":[64],"without":[66],"deteriorating":[67],"activity":[69],"determined.":[71]},"counts_by_year":[{"year":2022,"cited_by_count":1}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2019-01-25T00:00:00"}