{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,6]],"date-time":"2026-03-06T02:17:38Z","timestamp":1772763458807,"version":"3.50.1"},"reference-count":50,"publisher":"American Chemical Society (ACS)","issue":"2","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2015,2,23]]},"DOI":"10.1021\/ci400631n","type":"journal-article","created":{"date-parts":[[2014,4,14]],"date-time":"2014-04-14T19:24:42Z","timestamp":1397503482000},"page":"362-373","source":"Crossref","is-referenced-by-count":35,"title":["A Refined Model of the HCV NS5A Protein Bound to Daclatasvir Explains Drug-Resistant Mutations and Activity against Divergent Genotypes"],"prefix":"10.1021","volume":"55","author":[{"given":"Khaled H.","family":"Barakat","sequence":"first","affiliation":[{"name":"Li Ka Shing Institute of Virology, University of Alberta, Edmonton, Alberta Canada"},{"name":"Department of Engineering Mathematics and Physics, Fayoum University, Fayoum, Egypt"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Anwar","family":"Anwar-Mohamed","sequence":"additional","affiliation":[{"name":"Li Ka Shing Institute of Virology, University of Alberta, Edmonton, Alberta Canada"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jack A.","family":"Tuszynski","sequence":"additional","affiliation":[{"name":"Department of Oncology, University of Alberta, Edmonton, Alberta Canada"},{"name":"Department of Physics, University of Alberta, Edmonton, Alberta Canada"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Morris J.","family":"Robins","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biochemistry, Brigham Young University, Provo, Utah 84602, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"D. Lorne","family":"Tyrrell","sequence":"additional","affiliation":[{"name":"Li Ka Shing Institute of Virology, University of Alberta, Edmonton, Alberta Canada"},{"name":"Department of Medical Microbiology and Immunology, University of Alberta, Edmonton, Alberta Canada"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Michael","family":"Houghton","sequence":"additional","affiliation":[{"name":"Li Ka Shing Institute of Virology, University of Alberta, Edmonton, Alberta Canada"},{"name":"Department of Medical Microbiology and Immunology, University of Alberta, Edmonton, Alberta Canada"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2014,4,14]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"2405","DOI":"10.1056\/NEJMoa1012912","volume":"364","author":"Jacobson I. M.","year":"2011","journal-title":"N. Engl. J. Med."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"224","DOI":"10.1053\/jhep.2002.30531","volume":"35","author":"Di Bisceglie A. M.","year":"2002","journal-title":"Hepatology"},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"1464","DOI":"10.1038\/ajg.2013.205","volume":"108","author":"Abe H.","year":"2013","journal-title":"Am. J. Gastroenterol."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"6333","DOI":"10.1128\/AAC.02193-12","volume":"57","author":"Wong K. A.","year":"2013","journal-title":"Antimicrob. Agents Chemother."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"1147","DOI":"10.1002\/hep.510280433","volume":"28","author":"Fukuma T.","year":"1998","journal-title":"Hepatology"},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"7312","DOI":"10.1128\/JVI.00253-11","volume":"85","author":"Fridell R. A.","year":"2011","journal-title":"J. Virol."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"4395","DOI":"10.1128\/JVI.02352-08","volume":"83","author":"Love R. A.","year":"2009","journal-title":"J. Virol."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"374","DOI":"10.1038\/nature03580","volume":"435","author":"Tellinghuisen T. L.","year":"2005","journal-title":"Nature"},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"96","DOI":"10.1038\/nature08960","volume":"465","author":"Gao M.","year":"2010","journal-title":"Nature"},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"6353","DOI":"10.1128\/JVI.00215-11","volume":"85","author":"Targett-Adams P.","year":"2011","journal-title":"J. Virol."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"3991","DOI":"10.1073\/pnas.1203110110","volume":"110","author":"Guedj J.","year":"2013","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"2031","DOI":"10.1016\/j.bmcl.2013.02.023","volume":"23","author":"Amblard F.","year":"2013","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"3627","DOI":"10.1016\/j.bmcl.2013.04.009","volume":"23","author":"DeGoey D. A.","year":"2013","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"4864","DOI":"10.1016\/j.bmcl.2012.05.039","volume":"22","author":"Zhang H.","year":"2012","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref15\/cit15","author":"Barakat K. H.","year":"2011","journal-title":"Handbook of Research on Computational and Systems Biology: Interdisciplinary Applications"},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"215","DOI":"10.1002\/jmr.2266","volume":"26","author":"Yuriev E.","year":"2013","journal-title":"J. Mol. Recognit."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"702","DOI":"10.1016\/j.jmgm.2010.12.003","volume":"29","author":"Barakat K.","year":"2011","journal-title":"J. Mol. Graph. Model."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"12","DOI":"10.1124\/mol.112.082347","volume":"84","author":"Jordheim L. P.","year":"2013","journal-title":"Mol. Pharmacol."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"1924","DOI":"10.1002\/hep.24594","volume":"54","author":"Fridell R. A.","year":"2011","journal-title":"Hepatology"},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"375","DOI":"10.1016\/j.jhep.2013.03.030","volume":"59","author":"Pawlotsky J. M.","year":"2013","journal-title":"J. Hepatol."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"889","DOI":"10.1021\/ar000033j","volume":"33","author":"Kollman P. A.","year":"2000","journal-title":"Acc. Chem. Res."},{"key":"ref22\/cit22","unstructured":"MOE: Molecular Operating Environment.http:\/\/www.chemcomp.com."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","DOI":"10.1039\/9781849737814","volume-title":"Successful Strategies for the Discovery of Antiviral Drugs","author":"Desai M. C.","year":"2013"},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"77","DOI":"10.2174\/157489108784746597","volume":"3","author":"Schmitz U.","year":"2008","journal-title":"Recent Pat. Antiinfect. Drug Discovery"},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.virusres.2012.09.007","volume":"170","author":"Belda O.","year":"2012","journal-title":"Virus Res."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"514","DOI":"10.1016\/j.coviro.2013.06.014","volume":"3","author":"Gao M.","year":"2013","journal-title":"Curr. Opin. Virol."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"3641","DOI":"10.1128\/AAC.00556-10","volume":"54","author":"Fridell R. A.","year":"2010","journal-title":"Antimicrob. Agents Chemother."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"725","DOI":"10.1016\/j.chembiol.2010.05.019","volume":"17","author":"Bennett M. J.","year":"2010","journal-title":"Chem. Biol."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"40","DOI":"10.1016\/j.compbiolchem.2013.10.006","volume":"48","author":"Kuznetsov A.","year":"2013","journal-title":"Comput. Biol. Chem."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"163","DOI":"10.1016\/j.saa.2013.08.013","volume":"117","author":"Mi R.","year":"2014","journal-title":"Spectrochim. Acta, Part A"},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.cbi.2013.12.001","volume":"209","author":"Correa-Basurto J.","year":"2013","journal-title":"Chem. Biol. Interact."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"51","DOI":"10.1016\/j.steroids.2013.11.017","volume":"80","author":"Di Micco S.","year":"2013","journal-title":"Steroids"},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"34","DOI":"10.1002\/prot.10028","volume":"46","author":"Osterberg F.","year":"2002","journal-title":"Proteins"},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"40835","DOI":"10.1074\/jbc.M404761200","volume":"279","author":"Penin F.","year":"2004","journal-title":"J. Biol. Chem."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"283","DOI":"10.1006\/jcph.1999.6201","volume":"151","author":"Kal\u00e9 L.","year":"1999","journal-title":"J. Comput. Phys."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","unstructured":"Barakat, K.; Issac, B.; Stepanova, M.; Tuszynski, J.Effects of Temperature on the p53-DNA Binding Interactions and Their Dynamical Behavior: Comparing the Wild Type to the R248Q Mutant. Poster presented at the 17th Canadian Symposium on Theoretical Chemistry, Edmonton, AB, Canada, 2010.","DOI":"10.1371\/journal.pone.0027651"},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"555","DOI":"10.1016\/j.jmgm.2009.12.003","volume":"28","author":"Barakat K.","year":"2010","journal-title":"J. Mol. Graph. Model."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"e51329","DOI":"10.1371\/journal.pone.0051329","volume":"7","author":"Barakat K. H.","year":"2012","journal-title":"PLoS One"},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"712","DOI":"10.1002\/prot.21123","volume":"65","author":"Hornak V.","year":"2006","journal-title":"Proteins"},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"W522","DOI":"10.1093\/nar\/gkm276","volume":"35","author":"Dolinsky T. J.","year":"2007","journal-title":"Nucleic Acids Res."},{"key":"ref41\/cit41","unstructured":"CHARMM-GUI.http:\/\/www.charmm-gui.org\/?doc=input\/membrane."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"11124","DOI":"10.1021\/jp3059992","volume":"116","author":"Skjevik A. A.","year":"2012","journal-title":"J. Phys. Chem. B"},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"1157","DOI":"10.1002\/jcc.20035","volume":"25","author":"Wang J.","year":"2004","journal-title":"J. Comput. Chem."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"224","DOI":"10.1109\/TPAMI.1979.4766909","volume":"1","author":"Davies D. L.","year":"1979","journal-title":"IEEE Trans. Pattern Anal. Mach. Intell."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"2312","DOI":"10.1021\/ct700119m","author":"Shao J.","year":"2007","journal-title":"J. Chem. Theory Comput."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"305","DOI":"10.1002\/(SICI)1097-0282(199603)38:3<305::AID-BIP4>3.0.CO;2-Y","volume":"38","author":"Sanner M. F.","year":"1996","journal-title":"Biopolymers"},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"4572","DOI":"10.1021\/mp4003893","volume":"10","author":"Barakat K. H.","year":"2013","journal-title":"Mol. Pharmacol."},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"3031","DOI":"10.1021\/ci4003969","volume":"53","author":"Barakat K. H.","year":"2013","journal-title":"J. Chem. Inf. Model."},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"639","DOI":"10.1111\/j.1747-0285.2012.01340.x","volume":"79","author":"Friesen D. E.","year":"2012","journal-title":"Chem. Biol. Drug Des."},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"837","DOI":"10.1002\/jcc.21366","volume":"31","author":"Genheden S.","year":"2010","journal-title":"J. Comput. Chem."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci400631n","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,5,25]],"date-time":"2024-05-25T22:11:16Z","timestamp":1716675076000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci400631n"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2014,4,14]]},"references-count":50,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2015,2,23]]}},"alternative-id":["10.1021\/ci400631n"],"URL":"https:\/\/doi.org\/10.1021\/ci400631n","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2014,4,14]]}}}