{"id":"https://openalex.org/W2086950053","doi":"https://doi.org/10.1021/ja058826u","title":"Coupling between Protein and Reaction Dynamics in Enzymatic Processes: Application of Grote\u2212Hynes Theory to Catechol O-Methyltransferase","display_name":"Coupling between Protein and Reaction Dynamics in Enzymatic Processes: Application of Grote\u2212Hynes Theory to Catechol O-Methyltransferase","publication_year":2006,"publication_date":"2006-04-18","ids":{"openalex":"https://openalex.org/W2086950053","doi":"https://doi.org/10.1021/ja058826u","mag":"2086950053","pmid":"https://pubmed.ncbi.nlm.nih.gov/16669689"},"language":"en","primary_location":{"id":"doi:10.1021/ja058826u","doi":"https://doi.org/10.1021/ja058826u","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ja058826u","pdf_url":null,"source":{"id":"https://openalex.org/S111155417","display_name":"Journal of the American Chemical Society","issn_l":"0002-7863","issn":["0002-7863","1520-5126","1943-2984"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","jufo-3","ki-jl-3","medline","norway-2","poland-200","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of the American Chemical Society","raw_type":"journal-article"},"volume":null,"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/A5030258542","display_name":"Maite Roca","orcid":"https://orcid.org/0000-0003-0937-4722","observed_orcids":["https://orcid.org/0000-0003-0937-4722"]},"institutions":[{"id":"https://openalex.org/I10902133","display_name":"Universitat Jaume I","ror":"https://ror.org/02ws1xc11","country_code":"ES","type":"education","lineage":["https://openalex.org/I10902133"]},{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I16097986","display_name":"Universitat de Val\u00e8ncia","ror":"https://ror.org/043nxc105","country_code":"ES","type":"education","lineage":["https://openalex.org/I16097986"]},{"id":"https://openalex.org/I188538660","display_name":"University of Colorado Boulder","ror":"https://ror.org/02ttsq026","country_code":"US","type":"education","lineage":["https://openalex.org/I188538660"]},{"id":"https://openalex.org/I29607241","display_name":"\u00c9cole Normale Sup\u00e9rieure - PSL","ror":"https://ror.org/05a0dhs15","country_code":"FR","type":"other","lineage":["https://openalex.org/I2746051580","https://openalex.org/I29607241"]},{"id":"https://openalex.org/I4210139531","display_name":"Processus d'Activation S\u00e9lective par Transfert d'\u00c9nergie Uni-\u00e9lectronique ou Radiatif","ror":"https://ror.org/033t7vz72","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I2746051580","https://openalex.org/I29607241","https://openalex.org/I39804081","https://openalex.org/I4210128300","https://openalex.org/I4210139531","https://openalex.org/I4405257589"]}],"countries":["ES","FR","US"],"is_corresponding":false,"raw_author_name":"Maite Roca","raw_affiliation_strings":["Contribution from the Departament de Ci\u00e8ncies Experimentals, Universitat Jaume I, 12071 Castell\u00f3n, Spain, Departament de Qu\u00edmica F\u00edsica, Universidad de Valencia, 46100 Burjasot, Valencia, Spain, CNRS UMR 8640 PASTEUR, Departement de Chimie, Ecole Normale Sup\u00e9rieure, 24, rue Lhomond, 75231 Paris, France, and Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado 80309-0215"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Contribution from the Departament de Ci\u00e8ncies Experimentals, Universitat Jaume I, 12071 Castell\u00f3n, Spain, Departament de Qu\u00edmica F\u00edsica, Universidad de Valencia, 46100 Burjasot, Valencia, Spain, CNRS UMR 8640 PASTEUR, Departement de Chimie, Ecole Normale Sup\u00e9rieure, 24, rue Lhomond, 75231 Paris, France, and Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado 80309-0215","institution_ids":["https://openalex.org/I10902133","https://openalex.org/I1294671590","https://openalex.org/I16097986","https://openalex.org/I188538660","https://openalex.org/I29607241","https://openalex.org/I4210139531"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5002277303","display_name":"Vicent Moliner","orcid":"https://orcid.org/0000-0002-3665-3391","observed_orcids":["https://orcid.org/0000-0002-3665-3391"]},"institutions":[{"id":"https://openalex.org/I10902133","display_name":"Universitat Jaume I","ror":"https://ror.org/02ws1xc11","country_code":"ES","type":"education","lineage":["https://openalex.org/I10902133"]},{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I16097986","display_name":"Universitat de Val\u00e8ncia","ror":"https://ror.org/043nxc105","country_code":"ES","type":"education","lineage":["https://openalex.org/I16097986"]},{"id":"https://openalex.org/I188538660","display_name":"University of Colorado Boulder","ror":"https://ror.org/02ttsq026","country_code":"US","type":"education","lineage":["https://openalex.org/I188538660"]},{"id":"https://openalex.org/I29607241","display_name":"\u00c9cole Normale Sup\u00e9rieure - PSL","ror":"https://ror.org/05a0dhs15","country_code":"FR","type":"other","lineage":["https://openalex.org/I2746051580","https://openalex.org/I29607241"]},{"id":"https://openalex.org/I4210139531","display_name":"Processus d'Activation S\u00e9lective par Transfert d'\u00c9nergie Uni-\u00e9lectronique ou Radiatif","ror":"https://ror.org/033t7vz72","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I2746051580","https://openalex.org/I29607241","https://openalex.org/I39804081","https://openalex.org/I4210128300","https://openalex.org/I4210139531","https://openalex.org/I4405257589"]}],"countries":["ES","FR","US"],"is_corresponding":false,"raw_author_name":"Vicente Moliner","raw_affiliation_strings":["Contribution from the Departament de Ci\u00e8ncies Experimentals, Universitat Jaume I, 12071 Castell\u00f3n, Spain, Departament de Qu\u00edmica F\u00edsica, Universidad de Valencia, 46100 Burjasot, Valencia, Spain, CNRS UMR 8640 PASTEUR, Departement de Chimie, Ecole Normale Sup\u00e9rieure, 24, rue Lhomond, 75231 Paris, France, and Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado 80309-0215"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Contribution from the Departament de Ci\u00e8ncies Experimentals, Universitat Jaume I, 12071 Castell\u00f3n, Spain, Departament de Qu\u00edmica F\u00edsica, Universidad de Valencia, 46100 Burjasot, Valencia, Spain, CNRS UMR 8640 PASTEUR, Departement de Chimie, Ecole Normale Sup\u00e9rieure, 24, rue Lhomond, 75231 Paris, France, and Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado 80309-0215","institution_ids":["https://openalex.org/I10902133","https://openalex.org/I1294671590","https://openalex.org/I16097986","https://openalex.org/I188538660","https://openalex.org/I29607241","https://openalex.org/I4210139531"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5082079166","display_name":"I\u00f1aki Tu\u00f1\u00f3n","orcid":"https://orcid.org/0000-0002-6995-1838","observed_orcids":["https://orcid.org/0000-0002-6995-1838"]},"institutions":[{"id":"https://openalex.org/I10902133","display_name":"Universitat Jaume I","ror":"https://ror.org/02ws1xc11","country_code":"ES","type":"education","lineage":["https://openalex.org/I10902133"]},{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I16097986","display_name":"Universitat de Val\u00e8ncia","ror":"https://ror.org/043nxc105","country_code":"ES","type":"education","lineage":["https://openalex.org/I16097986"]},{"id":"https://openalex.org/I188538660","display_name":"University of Colorado Boulder","ror":"https://ror.org/02ttsq026","country_code":"US","type":"education","lineage":["https://openalex.org/I188538660"]},{"id":"https://openalex.org/I29607241","display_name":"\u00c9cole Normale Sup\u00e9rieure - PSL","ror":"https://ror.org/05a0dhs15","country_code":"FR","type":"other","lineage":["https://openalex.org/I2746051580","https://openalex.org/I29607241"]},{"id":"https://openalex.org/I4210139531","display_name":"Processus d'Activation S\u00e9lective par Transfert d'\u00c9nergie Uni-\u00e9lectronique ou Radiatif","ror":"https://ror.org/033t7vz72","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I2746051580","https://openalex.org/I29607241","https://openalex.org/I39804081","https://openalex.org/I4210128300","https://openalex.org/I4210139531","https://openalex.org/I4405257589"]}],"countries":["ES","FR","US"],"is_corresponding":false,"raw_author_name":"I\u00f1aki Tu\u00f1\u00f3n","raw_affiliation_strings":["Contribution from the Departament de Ci\u00e8ncies Experimentals, Universitat Jaume I, 12071 Castell\u00f3n, Spain, Departament de Qu\u00edmica F\u00edsica, Universidad de Valencia, 46100 Burjasot, Valencia, Spain, CNRS UMR 8640 PASTEUR, Departement de Chimie, Ecole Normale Sup\u00e9rieure, 24, rue Lhomond, 75231 Paris, France, and Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado 80309-0215"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Contribution from the Departament de Ci\u00e8ncies Experimentals, Universitat Jaume I, 12071 Castell\u00f3n, Spain, Departament de Qu\u00edmica F\u00edsica, Universidad de Valencia, 46100 Burjasot, Valencia, Spain, CNRS UMR 8640 PASTEUR, Departement de Chimie, Ecole Normale Sup\u00e9rieure, 24, rue Lhomond, 75231 Paris, France, and Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado 80309-0215","institution_ids":["https://openalex.org/I10902133","https://openalex.org/I1294671590","https://openalex.org/I16097986","https://openalex.org/I188538660","https://openalex.org/I29607241","https://openalex.org/I4210139531"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5000113075","display_name":"James T. Hynes","orcid":"https://orcid.org/0000-0003-2683-0304","observed_orcids":["https://orcid.org/0000-0003-2683-0304"]},"institutions":[{"id":"https://openalex.org/I10902133","display_name":"Universitat Jaume I","ror":"https://ror.org/02ws1xc11","country_code":"ES","type":"education","lineage":["https://openalex.org/I10902133"]},{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I16097986","display_name":"Universitat de Val\u00e8ncia","ror":"https://ror.org/043nxc105","country_code":"ES","type":"education","lineage":["https://openalex.org/I16097986"]},{"id":"https://openalex.org/I188538660","display_name":"University of Colorado Boulder","ror":"https://ror.org/02ttsq026","country_code":"US","type":"education","lineage":["https://openalex.org/I188538660"]},{"id":"https://openalex.org/I29607241","display_name":"\u00c9cole Normale Sup\u00e9rieure - PSL","ror":"https://ror.org/05a0dhs15","country_code":"FR","type":"other","lineage":["https://openalex.org/I2746051580","https://openalex.org/I29607241"]},{"id":"https://openalex.org/I4210139531","display_name":"Processus d'Activation S\u00e9lective par Transfert d'\u00c9nergie Uni-\u00e9lectronique ou Radiatif","ror":"https://ror.org/033t7vz72","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I2746051580","https://openalex.org/I29607241","https://openalex.org/I39804081","https://openalex.org/I4210128300","https://openalex.org/I4210139531","https://openalex.org/I4405257589"]}],"countries":["ES","FR","US"],"is_corresponding":false,"raw_author_name":"James T. Hynes","raw_affiliation_strings":["Contribution from the Departament de Ci\u00e8ncies Experimentals, Universitat Jaume I, 12071 Castell\u00f3n, Spain, Departament de Qu\u00edmica F\u00edsica, Universidad de Valencia, 46100 Burjasot, Valencia, Spain, CNRS UMR 8640 PASTEUR, Departement de Chimie, Ecole Normale Sup\u00e9rieure, 24, rue Lhomond, 75231 Paris, France, and Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado 80309-0215"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Contribution from the Departament de Ci\u00e8ncies Experimentals, Universitat Jaume I, 12071 Castell\u00f3n, Spain, Departament de Qu\u00edmica F\u00edsica, Universidad de Valencia, 46100 Burjasot, Valencia, Spain, CNRS UMR 8640 PASTEUR, Departement de Chimie, Ecole Normale Sup\u00e9rieure, 24, rue Lhomond, 75231 Paris, France, and Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado 80309-0215","institution_ids":["https://openalex.org/I10902133","https://openalex.org/I1294671590","https://openalex.org/I16097986","https://openalex.org/I188538660","https://openalex.org/I29607241","https://openalex.org/I4210139531"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":6,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":2.1232,"has_fulltext":false,"cited_by_count":58,"citation_normalized_percentile":{"value":0.85240352,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":99},"biblio":{"volume":"128","issue":"18","first_page":"6186","last_page":"6193"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.5479000210762024,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.5479000210762024,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.25,"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/T12191","display_name":"Chemical Reaction Mechanisms","score":0.08590000122785568,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"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/catechol-o-methyltransferase","display_name":"catechol-O-methyltransferase","score":0.9739999771118164},{"id":"https://openalex.org/keywords/grote-hynes-theory","display_name":"Grote-Hynes theory","score":0.9020000100135803},{"id":"https://openalex.org/keywords/transmission-coefficient","display_name":"transmission coefficient","score":0.7110000252723694},{"id":"https://openalex.org/keywords/methyl-transfer","display_name":"methyl group transfer","score":0.6930000185966492},{"id":"https://openalex.org/keywords/s-adenosylmethionine","display_name":"S-adenosylmethionine","score":0.9890000224113464},{"id":"https://openalex.org/keywords/transition-state-theory","display_name":"transition state theory","score":0.6980000138282776},{"id":"https://openalex.org/keywords/kramers-theory","display_name":"Kramers theory","score":0.7580000162124634},{"id":"https://openalex.org/keywords/generalized-langevin-equation","display_name":"generalized Langevin equation","score":0.9120000004768372},{"id":"https://openalex.org/keywords/nonadiabatic-coupling","display_name":"nonadiabatic coupling","score":0.6669999957084656},{"id":"https://openalex.org/keywords/enzyme-active-site","display_name":"enzyme active site","score":0.6380000114440918},{"id":"https://openalex.org/keywords/reaction-dynamics","display_name":"reaction dynamics","score":0.5230000019073486}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8897290825843811},{"id":"https://openalex.org/C57476982","wikidata":"https://www.wikidata.org/wiki/Q582857","display_name":"Transition state theory","level":4,"score":0.7014675140380859},{"id":"https://openalex.org/C184651966","wikidata":"https://www.wikidata.org/wiki/Q906356","display_name":"Aqueous solution","level":2,"score":0.5998814105987549},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.5930486917495728},{"id":"https://openalex.org/C55310301","wikidata":"https://www.wikidata.org/wiki/Q75384","display_name":"Transmission coefficient","level":3,"score":0.5509039759635925},{"id":"https://openalex.org/C131584629","wikidata":"https://www.wikidata.org/wiki/Q4308705","display_name":"Coupling (piping)","level":2,"score":0.5027894973754883},{"id":"https://openalex.org/C185361966","wikidata":"https://www.wikidata.org/wiki/Q94291140","display_name":"Catechol-O-methyl transferase","level":4,"score":0.48530715703964233},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.4705161154270172},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4643246531486511},{"id":"https://openalex.org/C2776029896","wikidata":"https://www.wikidata.org/wiki/Q3935810","display_name":"Relaxation (psychology)","level":2,"score":0.4101472795009613},{"id":"https://openalex.org/C148898269","wikidata":"https://www.wikidata.org/wiki/Q1108792","display_name":"Kinetics","level":2,"score":0.39027929306030273},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.3844744563102722},{"id":"https://openalex.org/C93391505","wikidata":"https://www.wikidata.org/wiki/Q658700","display_name":"Reaction rate constant","level":3,"score":0.3815469443798065},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.37353768944740295},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.3295048475265503},{"id":"https://openalex.org/C761482","wikidata":"https://www.wikidata.org/wiki/Q118093","display_name":"Transmission (telecommunications)","level":2,"score":0.2521383464336395},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.20923712849617004},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.14183998107910156},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.09153351187705994},{"id":"https://openalex.org/C15744967","wikidata":"https://www.wikidata.org/wiki/Q9418","display_name":"Psychology","level":0,"score":0.0},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.0},{"id":"https://openalex.org/C78519656","wikidata":"https://www.wikidata.org/wiki/Q101333","display_name":"Mechanical engineering","level":1,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C119599485","wikidata":"https://www.wikidata.org/wiki/Q43035","display_name":"Electrical engineering","level":1,"score":0.0},{"id":"https://openalex.org/C77805123","wikidata":"https://www.wikidata.org/wiki/Q161272","display_name":"Social psychology","level":1,"score":0.0},{"id":"https://openalex.org/C180754005","wikidata":"https://www.wikidata.org/wiki/Q80726","display_name":"Allele","level":3,"score":0.0}],"mesh":[{"descriptor_ui":"D002394","descriptor_name":"Catechol O-Methyltransferase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D002394","descriptor_name":"Catechol O-Methyltransferase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D002396","descriptor_name":"Catechols","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D002396","descriptor_name":"Catechols","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007700","descriptor_name":"Kinetics","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":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012436","descriptor_name":"S-Adenosylmethionine","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D012436","descriptor_name":"S-Adenosylmethionine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1021/ja058826u","doi":"https://doi.org/10.1021/ja058826u","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ja058826u","pdf_url":null,"source":{"id":"https://openalex.org/S111155417","display_name":"Journal of the American Chemical Society","issn_l":"0002-7863","issn":["0002-7863","1520-5126","1943-2984"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","jufo-3","ki-jl-3","medline","norway-2","poland-200","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of the American Chemical Society","raw_type":"journal-article"},{"id":"pmid:16669689","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/16669689","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,"listed_in":[],"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 the American Chemical Society","raw_type":"Journal Article"},{"id":"pmh:oai:HAL:hal-00144582v1","doi":null,"is_oa":false,"landing_page_url":"https://hal.science/hal-00144582","pdf_url":null,"source":{"id":"https://openalex.org/S4306402512","display_name":"HAL","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4405252976","host_organization_name":"Centre pour la Communication Scientifique Directe","host_organization_lineage":["https://openalex.org/I4405252976"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of the American Chemical Society, 2006, 128 (18), pp.6186-6193","raw_type":"info:eu-repo/semantics/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":42,"referenced_works":["https://openalex.org/W1966616271","https://openalex.org/W1977258623","https://openalex.org/W1977482735","https://openalex.org/W1994593429","https://openalex.org/W2000210557","https://openalex.org/W2000847446","https://openalex.org/W2004904244","https://openalex.org/W2008288225","https://openalex.org/W2013120065","https://openalex.org/W2014295466","https://openalex.org/W2019900780","https://openalex.org/W2025396755","https://openalex.org/W2038513243","https://openalex.org/W2039485335","https://openalex.org/W2043901868","https://openalex.org/W2043965635","https://openalex.org/W2046286471","https://openalex.org/W2057135030","https://openalex.org/W2064532199","https://openalex.org/W2068502964","https://openalex.org/W2069444599","https://openalex.org/W2071789190","https://openalex.org/W2076960131","https://openalex.org/W2080131977","https://openalex.org/W2085266415","https://openalex.org/W2091351739","https://openalex.org/W2096921126","https://openalex.org/W2107020920","https://openalex.org/W2107025108","https://openalex.org/W2107453974","https://openalex.org/W2116243606","https://openalex.org/W2151317179","https://openalex.org/W2157199696","https://openalex.org/W2160294964","https://openalex.org/W2163691382","https://openalex.org/W2323178299","https://openalex.org/W2326840591","https://openalex.org/W2624104900","https://openalex.org/W2888544893","https://openalex.org/W2949409886","https://openalex.org/W2950002563","https://openalex.org/W2953282370"],"related_works":["https://openalex.org/W2044174858","https://openalex.org/W2007239151","https://openalex.org/W2312559691","https://openalex.org/W2317025165","https://openalex.org/W2003848458","https://openalex.org/W1984260261","https://openalex.org/W2044928940","https://openalex.org/W1979078079","https://openalex.org/W2020565933","https://openalex.org/W2902242718"],"abstract_inverted_index":{"The":[0,63,93],"generalized":[1],"Langevin":[2],"equation":[3],"(GLE)-based":[4],"Grote-Hynes":[5,82],"(GH)":[6],"theory":[7,95],"is":[8,110,130,141,160],"used":[9],"to":[10,22,112,133,195],"calculate":[11],"the":[12,17,30,40,43,47,74,81,106,116,127,142,153,156,165,169,172,185,189,196,204,207,212,216,226,231],"transmission":[13,108,232],"coefficients,":[14],"kappa,":[15,37],"for":[16,73,225],"methyl":[18],"transfer":[19],"from":[20,46],"S-adenosylmethionine":[21],"catecholate":[23],"both":[24],"in":[25,29,119,171,175,215],"aqueous":[26,75],"solution":[27,143],"and":[28,69,76,88,102,168,211,220],"catechol":[31],"O-methyltransferase":[32],"active":[33],"site.":[34],"Values":[35],"of":[36,42,57,188,198],"which":[38],"measures":[39],"deviation":[41],"rate":[44],"constants":[45],"Transition":[48],"State":[49],"Theory":[50],"(TST)":[51],"predictions,":[52],"are":[53,65,84,97],"obtained":[54,118],"by":[55,184],"means":[56],"rare":[58],"event":[59],"molecular":[60],"dynamics":[61],"simulations.":[62],"results":[64,124],"0.62":[66],"+/-":[67,71,86,90],"0.04":[68],"0.83":[70],"0.03":[72],"enzymatic":[77,107,128],"environments,":[78],"respectively,":[79],"while":[80],"predictions":[83,114],"0.58":[85],"0.09":[87],"0.89":[89],"0.03,":[91],"respectively.":[92,104],"Kramers":[94],"estimates":[96],"much":[98],"smaller,":[99],"about":[100],"0.01":[101],"0.1,":[103],"Thus,":[105],"coefficient":[109,129],"closer":[111,132],"TST":[113],"than":[115,140,174],"value":[117],"solution.":[120],"In":[121],"addition,":[122],"our":[123],"show":[125],"that":[126],"also":[131],"its":[134],"nonadiabatic":[135],"(or":[136],"frozen":[137],"environment)":[138],"limit":[139],"coefficient.":[144,233],"These":[145],"findings":[146],"can":[147],"be":[148],"understood":[149],"considering":[150],"that,":[151],"during":[152],"passage":[154],"over":[155],"barrier":[157],"top,":[158],"there":[159],"a":[161,180],"smaller":[162,181],"coupling":[163,205],"between":[164,206],"reactive":[166],"system":[167],"environment":[170],"enzyme":[173],"solution,":[176],"as":[177,179],"well":[178],"reorganization":[182],"suffered":[183],"enzyme.":[186],"Analysis":[187],"transition":[190,217],"state":[191,218],"friction":[192],"kernel":[193],"leads":[194],"identification":[197],"some":[199],"key":[200],"vibrational":[201],"modes":[202],"governing":[203],"two":[208],"different":[209],"environments":[210],"reacting":[213],"solute":[214],"region":[219],"insights":[221],"on":[222,230],"their":[223],"relevance":[224],"reaction":[227],"dynamics'":[228],"influence":[229]},"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2023,"cited_by_count":1},{"year":2021,"cited_by_count":4},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":5},{"year":2017,"cited_by_count":6},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":3},{"year":2014,"cited_by_count":5},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":5}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2016-06-24T00:00:00"}
