{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,1]],"date-time":"2026-03-01T08:35:01Z","timestamp":1772354101979,"version":"3.50.1"},"reference-count":62,"publisher":"American Chemical Society (ACS)","issue":"9","license":[{"start":{"date-parts":[[2021,8,23]],"date-time":"2021-08-23T00:00:00Z","timestamp":1629676800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2021,8,23]],"date-time":"2021-08-23T00:00:00Z","timestamp":1629676800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2021,8,23]],"date-time":"2021-08-23T00:00:00Z","timestamp":1629676800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100003593","name":"Conselho Nacional de Desenvolvimento Cient??fico e Tecnol??gico","doi-asserted-by":"publisher","award":["303988\/2016-9"],"award-info":[{"award-number":["303988\/2016-9"]}],"id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003593","name":"Conselho Nacional de Desenvolvimento Cient??fico e Tecnol??gico","doi-asserted-by":"publisher","award":["423693\/2016-6"],"award-info":[{"award-number":["423693\/2016-6"]}],"id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100011920","name":"Ernst and Ethel Eriksen Trust","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100011920","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001807","name":"Funda????o de Amparo ?? Pesquisa do Estado de S??o Paulo","doi-asserted-by":"publisher","award":["15\/13684-0"],"award-info":[{"award-number":["15\/13684-0"]}],"id":[{"id":"10.13039\/501100001807","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001321","name":"National Research Foundation","doi-asserted-by":"publisher","award":["105267"],"award-info":[{"award-number":["105267"]}],"id":[{"id":"10.13039\/501100001321","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2021,9,27]]},"DOI":"10.1021\/acs.jcim.1c00413","type":"journal-article","created":{"date-parts":[[2021,8,23]],"date-time":"2021-08-23T15:16:12Z","timestamp":1629731772000},"page":"4554-4570","source":"Crossref","is-referenced-by-count":6,"title":["Differences in Gluco and Galacto Substrate-Binding Interactions in a Dual 6P\u03b2-Glucosidase\/6P\u03b2-Galactosidase Glycoside Hydrolase 1 Enzyme from <i>Bacillus licheniformis<\/i>"],"prefix":"10.1021","volume":"61","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-2747-7146","authenticated-orcid":true,"given":"Wayde","family":"Veldman","sequence":"first","affiliation":[{"name":"Research Unit in Bioinformatics (RUBi), Department of Biochemistry and Microbiology, Rhodes University, Grahamstown 6140, South Africa"}]},{"given":"Marcelo Vizona","family":"Liberato","sequence":"additional","affiliation":[{"name":"S\u00e3o Carlos Institute of Physics, University of S\u00e3o Paulo, S\u00e3o Carlos 13566-590, Brazil"}]},{"given":"Valquiria P.","family":"Souza","sequence":"additional","affiliation":[{"name":"Departamento de Bioqu\u00edmica, Instituto de Qu\u00edmica, Universidade de S\u00e3o Paulo, S\u00e3o Paulo 05508-000, Brazil"}]},{"given":"Vitor M.","family":"Almeida","sequence":"additional","affiliation":[{"name":"Departamento de Bioqu\u00edmica, Instituto de Qu\u00edmica, Universidade de S\u00e3o Paulo, S\u00e3o Paulo 05508-000, Brazil"}]},{"given":"Sandro R.","family":"Marana","sequence":"additional","affiliation":[{"name":"Departamento de Bioqu\u00edmica, Instituto de Qu\u00edmica, Universidade de S\u00e3o Paulo, S\u00e3o Paulo 05508-000, Brazil"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6861-7849","authenticated-orcid":true,"given":"\u00d6zlem","family":"Tastan Bishop","sequence":"additional","affiliation":[{"name":"Research Unit in Bioinformatics (RUBi), Department of Biochemistry and Microbiology, Rhodes University, Grahamstown 6140, South Africa"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9496-4174","authenticated-orcid":true,"given":"Igor","family":"Polikarpov","sequence":"additional","affiliation":[{"name":"S\u00e3o Carlos Institute of Physics, University of S\u00e3o Paulo, S\u00e3o Carlos 13566-590, Brazil"}]}],"member":"316","published-online":{"date-parts":[[2021,8,23]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1128\/mmbr.00024-06"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1007\/s13738-012-0185-1"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1128\/mr.57.3.543-594.1993"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1128\/MMBR.00001-14"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1107\/S0907444912049608"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkt1178"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2004.11.058"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejcb.2011.04.002"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1111\/febs.14283"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-biochem-030409-143718"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c00759"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1111\/j.1469-185X.1953.tb01386.x"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1111\/jam.14192"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1007\/s10295-019-02249-4"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1186\/s13568-019-0916-0"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1007\/s10295-019-02213-2"},{"key":"ref62\/ref62_1","volume-title":"Protein structure: A practical approach","author":"Pace C. N.","year":"1997"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gky989"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-62703-646-7_17"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btp033"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1093\/molbev\/msw054"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1093\/oxfordjournals.molbev.a003851"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1093\/molbev\/msn067"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkv416"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/14.1.48"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1016\/j.fob.2015.11.003"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1997.1084"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2017.12.007"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0166698"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-4939-7231-9_4"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1107\/s0021889892009944"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkp322"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1016\/S0076-6879(97)77022-8"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00834"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1016\/j.softx.2015.06.001"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1097-0134(19991101)37:2"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/jm0302997"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1999.3371"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.5b01156"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1504986112"},{"key":"ref41\/cit41","unstructured":"Case, D. A.; Cerutti, D. S.; Cheatham, T. E. I.; Darden, T. A.; Duke, R. E.; Giese, T. J.; Gohlke, H.; Goetz, A. W.; Greene, D.; Homeyer, N.; Izadi, S.; Kovalenko, A.; Lee, T. S.; LeGrand, S.; Li, P.; Lin, C.; Liu, J.; Luchko, T.; Luo, R.; Mermelstein, D.; Merz, K. M.; Monard, G.; Nguyen, H.; Omelyan, I.; Onufriev, A.; Pan, F.; Qi, R.; Roe, D. R.; Roitberg, A.; Sagui, C.; Simmerling, C. L.; Botello-Smith, W. M.; Swails, J.; Walker, R. C.; Wang, J.; Wolf, R. M.; Wu, X.; Xiao, L.; York, D. M.; Kollman, P. A. AmberTools2017; University of California: San Francisco, 2017."},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.11436\/mssj.17.98"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gks375"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1063\/1.448118"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1063\/1.328693"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00255"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-987X(199709)18:12<1463::AID-JCC4>3.0.CO;2-H"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1021\/ct400341p"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1021\/ci500020m"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.3389\/fmolb.2017.00087"},{"key":"ref51\/cit51","unstructured":"Wohlers, I.; Andonov, R.; Klau, G. W. Optimal DALI Protein Structure Alignment, Research Report RR-7915; HAL, 2012; pp 20."},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M113.454751"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.3390\/molecules22112029"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1002\/bip.21052"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.7b00101"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1021\/ja105051e"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1016\/j.pbiomolbio.2014.05.006"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200503132"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1021\/ja413174b"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1021\/pr3000688"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-2836(03)00610-7"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.1c00413","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,17]],"date-time":"2023-04-17T21:06:40Z","timestamp":1681765600000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.1c00413"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,8,23]]},"references-count":62,"journal-issue":{"issue":"9","published-print":{"date-parts":[[2021,9,27]]}},"alternative-id":["10.1021\/acs.jcim.1c00413"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.1c00413","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2021,8,23]]}}}