{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,6]],"date-time":"2026-04-06T23:04:06Z","timestamp":1775516646312,"version":"3.50.1"},"reference-count":46,"publisher":"American Chemical Society (ACS)","issue":"12","license":[{"start":{"date-parts":[[2023,6,1]],"date-time":"2023-06-01T00:00:00Z","timestamp":1685577600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2023,6,1]],"date-time":"2023-06-01T00:00:00Z","timestamp":1685577600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2023,6,1]],"date-time":"2023-06-01T00:00:00Z","timestamp":1685577600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100001871","name":"Funda??o para a Ci?ncia e a Tecnologia","doi-asserted-by":"publisher","award":["2021.00391.CEECIND\/CP1662\/CT0003"],"award-info":[{"award-number":["2021.00391.CEECIND\/CP1662\/CT0003"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda??o para a Ci?ncia e a Tecnologia","doi-asserted-by":"publisher","award":["UIDB\/50006\/2020"],"award-info":[{"award-number":["UIDB\/50006\/2020"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001871","name":"Funda??o para a Ci?ncia e a Tecnologia","doi-asserted-by":"publisher","award":["UIDP\/50006\/2020"],"award-info":[{"award-number":["UIDP\/50006\/2020"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["ACS Catal."],"published-print":{"date-parts":[[2023,6,16]]},"DOI":"10.1021\/acscatal.3c01473","type":"journal-article","created":{"date-parts":[[2023,6,1]],"date-time":"2023-06-01T09:52:53Z","timestamp":1685613173000},"page":"8092-8098","source":"Crossref","is-referenced-by-count":24,"title":["How and When Does an Enzyme React? Unraveling \u03b1-Amylase Catalytic Activity with Enhanced Sampling Techniques"],"prefix":"10.1021","volume":"13","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-8776-449X","authenticated-orcid":true,"given":"Sudip","family":"Das","sequence":"first","affiliation":[{"name":"Italian Institute of Technology, Genova, GE 16163, Italy"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8219-224X","authenticated-orcid":true,"given":"Umberto","family":"Raucci","sequence":"additional","affiliation":[{"name":"Italian Institute of Technology, Genova, GE 16163, Italy"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2032-9308","authenticated-orcid":true,"given":"Rui P. P.","family":"Neves","sequence":"additional","affiliation":[{"name":"LAQV, REQUIMTE, Departamento de Qu\u00edmica e Bioqu\u00edmica, Faculdade de Ci\u00eancias Universidade do Porto, Rua do Campo Alegre, s\/n, 4169-007 Porto, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7554-8324","authenticated-orcid":true,"given":"Maria J.","family":"Ramos","sequence":"additional","affiliation":[{"name":"LAQV, REQUIMTE, Departamento de Qu\u00edmica e Bioqu\u00edmica, Faculdade de Ci\u00eancias Universidade do Porto, Rua do Campo Alegre, s\/n, 4169-007 Porto, Portugal"}]},{"given":"Michele","family":"Parrinello","sequence":"additional","affiliation":[{"name":"Italian Institute of Technology, Genova, GE 16163, Italy"}]}],"member":"316","published-online":{"date-parts":[[2023,6,1]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1021\/bi800049z"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1534873100"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/ct900530f"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.7b04400"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1017\/s1355838299990416"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.2c02275"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201710682"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M312825200"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1016\/j.jinorgbio.2023.112129"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.202427399"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-physchem-040215-112229"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1038\/s42254-020-0153-0"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/Cr050293k"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/cr00023a004"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/cr040426m"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/cr0503052"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-biophys-070816-033834"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/jp204407d"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-019-53133-1"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.0c00497"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevX.10.041034"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.107.085504"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.1c03993"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.2c00152"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.2c04419"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-020-20310-0"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.1c05301"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-022-33104-3"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2113533118"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1002\/star.201200194"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.3390\/molecules25173813"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/bi9921182"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00222"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.2c00691"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.202200159"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1016\/j.cbpa.2014.03.001"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.1c02317"},{"key":"ref38\/cit38","unstructured":"Hydration spot. https:\/\/github.com\/narjesansari\/Hydration_spot.git (accessed\n2023\/11\/5)."},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1063\/1.2432340"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b00093"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b00424"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1063\/5.0130886"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1494"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.1c00361"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.9b13588"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.1c07254"}],"container-title":["ACS Catalysis"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acscatal.3c01473","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acscatal.3c01473","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,6,16]],"date-time":"2023-06-16T04:48:29Z","timestamp":1686890909000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acscatal.3c01473"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,6,1]]},"references-count":46,"journal-issue":{"issue":"12","published-print":{"date-parts":[[2023,6,16]]}},"alternative-id":["10.1021\/acscatal.3c01473"],"URL":"https:\/\/doi.org\/10.1021\/acscatal.3c01473","relation":{"has-preprint":[{"id-type":"doi","id":"10.26434\/chemrxiv-2023-h1498","asserted-by":"object"}]},"ISSN":["2155-5435","2155-5435"],"issn-type":[{"value":"2155-5435","type":"print"},{"value":"2155-5435","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,6,1]]}}}