{ "labelLang" : "hun", "responseDate" : "2024-03-29 06:00", "content" : { "otype" : "JournalArticle", "mtid" : 31306172, "status" : "VALIDATED", "published" : true, "comment" : "Funding Agency and Grant Number: National Institutes of Health (NIH) National Heart, Lung, and Blood Institute (NHLBI)United States Department of Health & Human ServicesNational Institutes of Health (NIH) - USANIH National Heart Lung & Blood Institute (NHLBI) [5R01HL128537, 5U01HL126273]; NIH Common Fund program Stimulating Peripheral Activity to Relieve Conditions (SPARC) grant [1OT2OD026580]; American Heart Association (AHA)American Heart Association [16PRE27260295, 19CDA34770101]; University of California Davis Pharmacology [T32GM099608]; University of California Davis, Department of Physiology and Membrane Biology Research Partnership Fund; University of California Davis Team-Based Grant in Physiology; Canadian Institutes of Health ResearchCanadian Institutes of Health Research (CIHR) [156236]; Compute Canada Resource Allocation Awards [20172019]; Extreme Science and Engineering Discovery Environment (XSEDE) research allocations [MCB170095]; National Center for Supercomputing Applications (NCSA) Blue Waters Broadening Participation Allocation; Pittsburgh Supercomputing Center (PSC) Anton 2 allocations [PSCA17085P, PSCA16108P, PSCA18077P, PSCA17021P]; National Institutes of HealthUnited States Department of Health & Human ServicesNational Institutes of Health (NIH) - USA [R01GM116961]\n Funding text: This study was supported by the National Institutes of Health (NIH) National Heart, Lung, and Blood Institute (NHLBI) grants 5R01HL128537 (C.E. Clancy/V. Yarov-Yarovoy/S.Y. Noskov) and 5U01HL126273 (C.E. Clancy/V. Yarov-Yarovoy); NIH Common Fund program Stimulating Peripheral Activity to Relieve Conditions (SPARC) grant 1OT2OD026580 (C.E. Clancy/I. Vorobyov); American Heart Association (AHA) predoctoral fellowship 16PRE27260295 (K.R. DeMarco) and career development award 19CDA34770101 (I. Vorobyov); University of California Davis Pharmacology training program T32GM099608 (J.R.D. Dawson); University of California Davis, Department of Physiology and Membrane Biology Research Partnership Fund (I. Vorobyov/C.E. Clancy); University of California Davis Team-Based Grant in Physiology (V. Yarov-Yarovoy/C.E. Clancy); Canadian Institutes of Health Research Project Program grant Funding Reference Number 156236 (S.Y. Noskov); Compute Canada Resource Allocation Awards 20172019 (S.Y. Noskov); the Extreme Science and Engineering Discovery Environment (XSEDE) research allocations MCB170095 (I. Vorobyov/K.R. DeMarco/C.E. Clancy); National Center for Supercomputing Applications (NCSA) Blue Waters Broadening Participation Allocation (C.E. Clancy/I. Vorobyov/K.R. DeMarco); Pittsburgh Supercomputing Center (PSC) Anton 2 allocations PSCA17085P, PSCA16108P, PSCA18077P, and PSCA17021P (I. Vorobyov/C.E. Clancy/K.R. DeMarco/S.Y. Noskov). Anton 2 computer time was provided by the PSC through Grant R01GM116961 from the National Institutes of Health. The Anton 2 machine at PSC was generously made available by D.E. Shaw Research.\nDepartment of Physiology and Membrane Biology, University of California Davis, United States \n Biophysics Graduate Group, University of California Davis, United States \n Department of Pharmacology, University of California Davis, United States \n Department of Science and Engineering, American River College, Sacramento, CA, United States \n Faculty of Science, Centre for Molecular Simulations, Department of Biological Sciences, University of Calgary, Alberta, Canada \n Cited By :10 \n Export Date: 16 April 2021 \n CODEN: CIRUA \n Correspondence Address: Clancy, C.E.; University of California DavisUnited States; email: ceclancy@ucdavis.edu \n Chemicals/CAS: dofetilide, 115256-11-6; moxifloxacin, 151096-09-2; Anti-Arrhythmia Agents; Cardiotoxins; dofetilide; ERG1 Potassium Channel; KCNH2 protein, human; Moxifloxacin; Phenethylamines; Sulfonamides; Topoisomerase II Inhibitors", "unhandledTickets" : 0, "deleted" : false, "lastRefresh" : "2021-04-16T07:50:18.859+0000", "lastModified" : "2020-08-27T14:34:39.369+0000", "created" : "2020-05-07T08:57:45.530+0000", "creator" : { "otype" : "Admin", "mtid" : 10028537, "link" : "/api/admin/10028537", "label" : "Baczkó Gabriella (SZTE ÁOK admin5 Reuma és Farmakológia)", "familyName" : "Baczkó", "givenName" : "Gabriella", "published" : true, "oldId" : 10028537, "snippet" : true }, "lastDuplumOK" : "2022-03-08T21:15:24.402+0000", "lastDuplumSearch" : "2022-03-08T21:15:24.402+0000", "validated" : "2020-08-27T14:34:23.760+0000", "validator" : { "otype" : "Admin", "mtid" : 565, "link" : "/api/admin/565", "label" : "WoS import (admin)", "familyName" : "WoS", "givenName" : "import", "published" : true, "snippet" : true }, "core" : false, "citation" : true, "publicationPending" : false, "type" : { "otype" : "PublicationType", "mtid" : 24, "link" : "/api/publicationtype/24", "label" : "Folyóiratcikk", "code" : 24, "otypeName" : "JournalArticle", "listPosition" : 1, "published" : true, "oldId" : 24, "snippet" : true }, "subType" : { "otype" : "SubType", "mtid" : 10000059, "link" : "/api/subtype/10000059", "label" : "Szakcikk (Folyóiratcikk)", "name" : "Szakcikk", "nameEng" : "Article", "docType" : { "otype" : "PublicationType", "mtid" : 24, "link" : "/api/publicationtype/24", "label" : "Folyóiratcikk", "code" : 24, "otypeName" : "JournalArticle", "listPosition" : 1, "published" : true, "oldId" : 24, "snippet" : true }, "listPosition" : 101, "published" : true, "oldId" : 10000059, "snippet" : true }, "category" : { "otype" : "Category", "mtid" : 1, "link" : "/api/category/1", "label" : "Tudományos", "published" : true, "oldId" : 1, "snippet" : true }, "languages" : [ { "otype" : "Language", "mtid" : 10002, "link" : "/api/language/10002", "label" : "Angol", "name" : "Angol", "nameEng" : "English", "published" : true, "oldId" : 2, "snippet" : true } ], "firstAuthor" : "Yang, Pei-Chi", "authorships" : [ { "otype" : "PersonAuthorship", "mtid" : 91598974, "link" : "/api/authorship/91598974", "label" : "Yang, Pei-Chi", "listPosition" : 1, "share" : 0.0, "first" : true, "last" : false, "corresponding" : false, "familyName" : "Yang", "givenName" : "Pei-Chi", "authorTyped" : true, "editorTyped" : false, "otherTyped" : false, "type" : { "otype" : "AuthorshipType", "mtid" : 1, "link" : "/api/authorshiptype/1", "label" : "Szerző", "code" : 0, "published" : true, "oldId" : 0, "snippet" : true }, "published" : false, "snippet" : true }, { "otype" : "PersonAuthorship", "mtid" : 91598975, "link" : "/api/authorship/91598975", "label" : "DeMarco, Kevin R.", "listPosition" : 2, "share" : 0.0, "first" : false, "last" : false, "corresponding" : false, "familyName" : "DeMarco", "givenName" : "Kevin R.", "authorTyped" : true, "editorTyped" : false, "otherTyped" : false, "type" : { "otype" : "AuthorshipType", "mtid" : 1, "link" : "/api/authorshiptype/1", "label" : "Szerző", "code" : 0, "published" : true, "oldId" : 0, "snippet" : true }, "published" : false, "snippet" : true }, { "otype" : "PersonAuthorship", "mtid" : 91598976, "link" : "/api/authorship/91598976", "label" : "Aghasafari, Parya", "listPosition" : 3, "share" : 0.0, "first" : false, "last" : false, "corresponding" : false, "familyName" : "Aghasafari", "givenName" : "Parya", "authorTyped" : true, "editorTyped" : false, "otherTyped" : false, "type" : { "otype" : "AuthorshipType", "mtid" : 1, "link" : "/api/authorshiptype/1", "label" : "Szerző", "code" : 0, "published" : true, "oldId" : 0, "snippet" : true }, "published" : false, "snippet" : true }, { "otype" : "PersonAuthorship", "mtid" : 91598977, "link" : "/api/authorship/91598977", "label" : "Jeng, Mao-Tsuen", "listPosition" : 4, "share" : 0.0, "first" : false, "last" : false, "corresponding" : false, "familyName" : "Jeng", "givenName" : "Mao-Tsuen", "authorTyped" : true, "editorTyped" : false, "otherTyped" : false, "type" : { "otype" : "AuthorshipType", "mtid" : 1, "link" : "/api/authorshiptype/1", "label" : "Szerző", "code" : 0, "published" : true, "oldId" : 0, "snippet" : true }, "published" : false, "snippet" : true }, { "otype" : "PersonAuthorship", "mtid" : 91598978, "link" : "/api/authorship/91598978", "label" : "Dawson, John R. D.", "listPosition" : 5, "share" : 0.0, "first" : false, "last" : false, "corresponding" : false, "familyName" : "Dawson", "givenName" : "John R. D.", "authorTyped" : true, "editorTyped" : false, "otherTyped" : false, "type" : { "otype" : "AuthorshipType", "mtid" : 1, "link" : "/api/authorshiptype/1", "label" : "Szerző", "code" : 0, "published" : true, "oldId" : 0, "snippet" : true }, "published" : false, "snippet" : true }, { "otype" : "PersonAuthorship", "mtid" : 91598979, "link" : "/api/authorship/91598979", "label" : "Bekker, Slava", "listPosition" : 6, "share" : 0.0, "first" : false, "last" : false, "corresponding" : false, "familyName" : "Bekker", "givenName" : "Slava", "authorTyped" : true, "editorTyped" : false, "otherTyped" : false, "type" : { "otype" : "AuthorshipType", "mtid" : 1, "link" : "/api/authorshiptype/1", "label" : "Szerző", "code" : 0, "published" : true, "oldId" : 0, "snippet" : true }, "published" : false, "snippet" : true }, { "otype" : "PersonAuthorship", "mtid" : 91598980, "link" : "/api/authorship/91598980", "label" : "Noskov, Sergei Y.", "listPosition" : 7, "share" : 0.0, "first" : false, "last" : false, "corresponding" : false, "familyName" : "Noskov", "givenName" : "Sergei Y.", "authorTyped" : true, "editorTyped" : false, "otherTyped" : false, "type" : { "otype" : "AuthorshipType", "mtid" : 1, "link" : "/api/authorshiptype/1", "label" : "Szerző", "code" : 0, "published" : true, "oldId" : 0, "snippet" : true }, "published" : false, "snippet" : true }, { "otype" : "PersonAuthorship", "mtid" : 91598981, "link" : "/api/authorship/91598981", "label" : "Yarov-Yarovoy, Vladimir", "listPosition" : 8, "share" : 0.0, "first" : false, "last" : false, "corresponding" : false, "familyName" : "Yarov-Yarovoy", "givenName" : "Vladimir", "authorTyped" : true, "editorTyped" : false, "otherTyped" : false, "type" : { "otype" : "AuthorshipType", "mtid" : 1, "link" : "/api/authorshiptype/1", "label" : "Szerző", "code" : 0, "published" : true, "oldId" : 0, "snippet" : true }, "published" : false, "snippet" : true }, { "otype" : "PersonAuthorship", "mtid" : 91598982, "link" : "/api/authorship/91598982", "label" : "Vorobyov, Igor ✉", "listPosition" : 9, "share" : 0.0, "first" : false, "last" : false, "corresponding" : true, "familyName" : "Vorobyov", "givenName" : "Igor", "authorTyped" : true, "editorTyped" : false, "otherTyped" : false, "type" : { "otype" : "AuthorshipType", "mtid" : 1, "link" : "/api/authorshiptype/1", "label" : "Szerző", "code" : 0, "published" : true, "oldId" : 0, "snippet" : true }, "published" : false, "snippet" : true }, { "otype" : "PersonAuthorship", "mtid" : 91598983, "link" : "/api/authorship/91598983", "label" : "Clancy, Colleen E. ✉", "listPosition" : 10, "share" : 0.0, "first" : false, "last" : true, "corresponding" : true, "familyName" : "Clancy", "givenName" : "Colleen E.", "authorTyped" : true, "editorTyped" : false, "otherTyped" : false, "type" : { "otype" : "AuthorshipType", "mtid" : 1, "link" : "/api/authorshiptype/1", "label" : "Szerző", "code" : 0, "published" : true, "oldId" : 0, "snippet" : true }, "published" : false, "snippet" : true } ], "title" : "A Computational Pipeline to Predict Cardiotoxicity From the Atom to the Rhythm", "identifiers" : [ { "otype" : "PublicationIdentifier", "mtid" : 16898380, "link" : "/api/publicationidentifier/16898380", "label" : "DOI: 10.1161/CIRCRESAHA.119.316404", "source" : { "otype" : "PlainSource", "mtid" : 6, "link" : "/api/publicationsource/6", "label" : "DOI", "type" : { "otype" : "PublicationSourceType", "mtid" : 10001, "link" : "/api/publicationsourcetype/10001", "label" : "DOI", "mayHaveOa" : true, "published" : true, "snippet" : true }, "name" : "DOI", "nameEng" : "DOI", "linkPattern" : "https://doi.org/@@@", "publiclyVisible" : true, "published" : true, "oldId" : 6, "snippet" : true }, "validState" : "IDENTICAL", "idValue" : "10.1161/CIRCRESAHA.119.316404", "realUrl" : "https://doi.org/10.1161%2FCIRCRESAHA.119.316404", "published" : false, "snippet" : true }, { "otype" : "PublicationIdentifier", "mtid" : 16898381, "link" : "/api/publicationidentifier/16898381", "label" : "WoS: 000528026000007", "source" : { "otype" : "PlainSource", "mtid" : 1, "link" : "/api/publicationsource/1", "label" : "WoS", "type" : { "otype" : "PublicationSourceType", "mtid" : 10003, "link" : "/api/publicationsourcetype/10003", "label" : "Indexelő adatbázis", "mayHaveOa" : false, "published" : true, "snippet" : true }, "name" : "WoS", "nameEng" : "WoS", "linkPattern" : "http://gateway.isiknowledge.com/gateway/Gateway.cgi?&GWVersion=2&SrcAuth=CustomerName&SrcApp=CustomerName&DestLinkType=FullRecord&KeyUT=@@@&DestApp=WOS", "publiclyVisible" : true, "published" : true, "oldId" : 1, "snippet" : true }, "validState" : "IDENTICAL", "idValue" : "000528026000007", "realUrl" : "http://gateway.isiknowledge.com/gateway/Gateway.cgi?&GWVersion=2&SrcAuth=CustomerName&SrcApp=CustomerName&DestLinkType=FullRecord&KeyUT=000528026000007&DestApp=WOS", "published" : false, "snippet" : true }, { "otype" : "PublicationIdentifier", "mtid" : 18469989, "link" : "/api/publicationidentifier/18469989", "label" : "Scopus: 85083848887", "source" : { "otype" : "PlainSource", "mtid" : 3, "link" : "/api/publicationsource/3", "label" : "Scopus", "type" : { "otype" : "PublicationSourceType", "mtid" : 10003, "link" : "/api/publicationsourcetype/10003", "label" : "Indexelő adatbázis", "mayHaveOa" : false, "published" : true, "snippet" : true }, "name" : "Scopus", "linkPattern" : "http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-@@@", "publiclyVisible" : true, "published" : true, "oldId" : 3, "snippet" : true }, "validState" : "IDENTICAL", "idValue" : "85083848887", "realUrl" : "http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-85083848887", "published" : false, "snippet" : true }, { "otype" : "PublicationIdentifier", "mtid" : 16898382, "link" : "/api/publicationidentifier/16898382", "label" : "PubMed: 32091972", "source" : { "otype" : "PlainSource", "mtid" : 17, "link" : "/api/publicationsource/17", "label" : "PubMed", "type" : { "otype" : "PublicationSourceType", "mtid" : 10003, "link" : "/api/publicationsourcetype/10003", "label" : "Indexelő adatbázis", "mayHaveOa" : false, "published" : true, "snippet" : true }, "name" : "PubMed", "nameEng" : "PubMed", "linkPattern" : "http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&db=PubMed&list_uids=@@@&dopt=Abstract", "publiclyVisible" : true, "published" : true, "oldId" : 17, "snippet" : true }, "validState" : "IDENTICAL", "idValue" : "32091972", "realUrl" : "http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&db=PubMed&list_uids=32091972&dopt=Abstract", "published" : false, "snippet" : true } ], "journal" : { "otype" : "Journal", "mtid" : 10037273, "link" : "/api/journal/10037273", "label" : "CIRCULATION RESEARCH 0009-7330 1524-4571", "pIssn" : "0009-7330", "eIssn" : "1524-4571", "reviewType" : "REVIEWED", "noIF" : false, "sciIndexed" : true, "scopusIndexed" : true, "lang" : "FOREIGN", "hungarian" : false, "published" : true, "oldId" : 10037273, "snippet" : true }, "volume" : "126", "issue" : "8", "firstPage" : "947", "lastPage" : "964", "firstPageOrInternalIdForSort" : "947", "pageLength" : 18, "publishedYear" : 2020, "abstractText" : "Rationale: Drug-induced proarrhythmia is so tightly associated with prolongation of the QT interval that QT prolongation is an accepted surrogate marker for arrhythmia. But QT interval is too sensitive a marker and not selective, resulting in many useful drugs eliminated in drug discovery. Objective: To predict the impact of a drug from the drug chemistry on the cardiac rhythm. Methods and Results: In a new linkage, we connected atomistic scale information to protein, cell, and tissue scales by predicting drug-binding affinities and rates from simulation of ion channel and drug structure interactions and then used these values to model drug effects on the hERG channel. Model components were integrated into predictive models at the cell and tissue scales to expose fundamental arrhythmia vulnerability mechanisms and complex interactions underlying emergent behaviors. Human clinical data were used for model framework validation and showed excellent agreement, demonstrating feasibility of a new approach for cardiotoxicity prediction. Conclusions: We present a multiscale model framework to predict electrotoxicity in the heart from the atom to the rhythm. Novel mechanistic insights emerged at all scales of the system, from the specific nature of proarrhythmic drug interaction with the hERG channel, to the fundamental cellular and tissue-level arrhythmia mechanisms. Applications of machine learning indicate necessary and sufficient parameters that predict arrhythmia vulnerability. We expect that the model framework may be expanded to make an impact in drug discovery, drug safety screening for a variety of compounds and targets, and in a variety of regulatory processes.", "keywords" : [ { "otype" : "Keyword", "mtid" : 3332, "link" : "/api/keyword/3332", "label" : "MOLECULAR-DYNAMICS SIMULATIONS", "published" : true, "oldId" : 3332, "snippet" : true }, { "otype" : "Keyword", "mtid" : 6875, "link" : "/api/keyword/6875", "label" : "Hematology", "published" : true, "oldId" : 6875, "snippet" : true }, { "otype" : "Keyword", "mtid" : 18183, "link" : "/api/keyword/18183", "label" : "ARRHYTHMIAS", "published" : true, "oldId" : 18183, "snippet" : true }, { "otype" : "Keyword", "mtid" : 18641, "link" : "/api/keyword/18641", "label" : "ventricular repolarization", "published" : true, "oldId" : 18641, "snippet" : true }, { "otype" : "Keyword", "mtid" : 19003, "link" : "/api/keyword/19003", "label" : "ACTION-POTENTIAL DURATION", "published" : true, "oldId" : 19003, "snippet" : true }, { "otype" : "Keyword", "mtid" : 1013778, "link" : "/api/keyword/1013778", "label" : "Computational Biology", "published" : true, "oldId" : 1013778, "snippet" : true }, { "otype" : "Keyword", "mtid" : 1029640, "link" : "/api/keyword/1029640", "label" : "Cardiac electrophysiology", "published" : true, "oldId" : 1029640, "snippet" : true }, { "otype" : "Keyword", "mtid" : 1115108, "link" : "/api/keyword/1115108", "label" : "TORSADE-DE-POINTES", "published" : true, "oldId" : 1115108, "snippet" : true }, { "otype" : "Keyword", "mtid" : 1493744, "link" : "/api/keyword/1493744", "label" : "Cardiac & Cardiovascular Systems", "published" : true, "snippet" : true }, { "otype" : "Keyword", "mtid" : 1708462, "link" : "/api/keyword/1708462", "label" : "thorough QT", "published" : true, "snippet" : true }, { "otype" : "Keyword", "mtid" : 2009963, "link" : "/api/keyword/2009963", "label" : "drug-induced cardiotoxicity", "published" : true, "snippet" : true }, { "otype" : "Keyword", "mtid" : 2009964, "link" : "/api/keyword/2009964", "label" : "GENERAL FORCE-FIELD", "published" : true, "snippet" : true }, { "otype" : "Keyword", "mtid" : 2009965, "link" : "/api/keyword/2009965", "label" : "K+ CHANNEL BLOCKADE", "published" : true, "snippet" : true }, { "otype" : "Keyword", "mtid" : 2009966, "link" : "/api/keyword/2009966", "label" : "DOFETILIDE BLOCK", "published" : true, "snippet" : true }, { "otype" : "Keyword", "mtid" : 2009967, "link" : "/api/keyword/2009967", "label" : "QT(C) INTERVAL", "published" : true, "snippet" : true } ], "digital" : null, "printed" : null, "sourceYear" : 2020, "foreignEdition" : true, "foreignLanguage" : true, "fullPublication" : true, "conferencePublication" : false, "nationalOrigin" : null, "missingAuthor" : false, "oaType" : "GOLD", "oaCheckDate" : "2021-04-16", "oaFree" : false, "oaLink" : "http://circres.ahajournals.org/", "citationCount" : 0, "citationCountUnpublished" : 0, "citationCountWoOther" : 0, "independentCitCountWoOther" : 0, "doiCitationCount" : 0, "wosCitationCount" : 0, "scopusCitationCount" : 0, "independentCitationCount" : 0, "unhandledCitationCount" : 0, "citingPubCount" : 0, "independentCitingPubCount" : 0, "unhandledCitingPubCount" : 0, "citedPubCount" : 5, "citedCount" : 5, "ratings" : [ { "otype" : "SjrRating", "mtid" : 10758733, "link" : "/api/sjrrating/10758733", "label" : "sjr:D1 (2020) Scopus - Cardiology and Cardiovascular Medicine CIRCULATION RESEARCH 0009-7330 1524-4571", "listPos" : 8, "rankValue" : 0.1, "type" : "journal", "ratingType" : { "otype" : "RatingType", "mtid" : 10002, "link" : "/api/ratingtype/10002", "label" : "sjr", "code" : "sjr", "published" : true, "snippet" : true }, "subject" : { "otype" : "ClassificationExternal", "mtid" : 2705, "link" : "/api/classificationexternal/2705", "label" : "Scopus - Cardiology and Cardiovascular Medicine", "published" : true, "oldId" : 2705, "snippet" : true }, "ranking" : "D1", "calculation" : "FROM_LAST_YEAR", "published" : true, "snippet" : true } ], "ratingsForSort" : "D1", "referenceList" : "Abraham JM, 2015, CIRC-ARRHYTHMIA ELEC, V8, P772, DOI 10.1161/CIRCEP.114.002339 \n Alexandrou AJ, 2014, J PHYSIOL PHARMACOL, V65, P511 \n Alexandrou AJ, 2006, BRIT J PHARMACOL, V147, P905, DOI 10.1038/sj.bjp.0706678 \n Allen TW, 2003, J AM CHEM SOC, V125, P9868, DOI 10.1021/ja029317k \n Altin T, 2007, CAN J CARDIOL, V23, P907, DOI 10.1016/S0828-282X(07)70850-4 \n Andre I, 2007, P NATL ACAD SCI USA, V104, P17656, DOI 10.1073/pnas.0702626104 \n Barth P, 2007, P NATL ACAD SCI USA, V104, P15682, DOI 10.1073/pnas.0702515104 \n BEGLOV D, 1994, J CHEM PHYS, V100, P9050, DOI 10.1063/1.466711 \n Bloomfield DM, 2008, CLIN PHARMACOL THER, V84, P475, DOI 10.1038/clpt.2008.33 \n Boiteux C, 2014, P NATL ACAD SCI USA, V111, P13057, DOI 10.1073/pnas.1408710111 \n Braam SR, 2010, STEM CELL RES, V4, P107, DOI 10.1016/j.scr.2009.11.004 \n Breiman L, 2017, CLASSIFICATION REGRE \n Bridal TR, 2010, ASSAY DRUG DEV TECHN, V8, P755, DOI 10.1089/adt.2010.0267 \n Bridgland-Taylor M. H., 2006, Journal of Pharmacological and Toxicological Methods, V54, P189, DOI 10.1016/j.vascn.2006.02.003 \n Brooks BR, 2009, J COMPUT CHEM, V30, P1545, DOI 10.1002/jcc.21287 \n BROOKS BR, 1983, J COMPUT CHEM, V4, P187, DOI 10.1002/jcc.540040211 \n Cho Y, 2018, BMJ OPEN, V8, DOI 10.1136/bmjopen-2017-020974 \n Chorin E, 2019, HEART RHYTHM, V16, P1141, DOI 10.1016/j.hrthm.2019.04.039 \n Chorin E, 2016, CIRC-ARRHYTHMIA ELEC, V9, DOI 10.1161/CIRCEP.116.004370 \n Colatsky T, 2016, J PHARMACOL TOX MET, V81, P15, DOI 10.1016/j.vascn.2016.06.002 \n CROSS PE, 1990, J MED CHEM, V33, P1151, DOI 10.1021/jm00166a011 \n CROUZY S, 1994, BIOPHYS J, V67, P1370, DOI 10.1016/S0006-3495(94)80618-6 \n Dale KM, 2007, ANN PHARMACOTHER, V41, P336, DOI 10.1345/aph.1H474 \n DARDEN T, 1993, J CHEM PHYS, V98, P10089, DOI 10.1063/1.464397 \n Davis AM, 2000, DRUG METAB DISPOS, V28, P103 \n De Bruin ML, 2005, EUR HEART J, V26, P590, DOI 10.1093/eurheartj/ehi092 \n Debye P., 1942, Transactions of the Electrochemical Society, V82, P265, DOI 10.1149/1.3071413 \n DeMarco KR, 2018, FRONT PHARMACOL, V9, DOI 10.3389/fphar.2018.00026 \n Dutta S, 2017, FRONT PHYSIOL, V8, DOI 10.3389/fphys.2017.00616 \n Ebert SN, 1998, J WOMENS HEALTH, V7, P547, DOI 10.1089/jwh.1998.7.547 \n ECHT DS, 1991, NEW ENGL J MED, V324, P781, DOI 10.1056/NEJM199103213241201 \n Faber GM, 2000, BIOPHYS J, V78, P2392, DOI 10.1016/S0006-3495(00)76783-X \n FELLER SE, 1995, J CHEM PHYS, V103, P4613, DOI 10.1063/1.470648 \n Ficker E, 1998, CIRC RES, V82, P386, DOI 10.1161/01.RES.82.3.386 \n Florian JA, 2011, J CLIN PHARMACOL, V51, P1152, DOI 10.1177/0091270010381498 \n Food and Drug Administration. ICH, 2005, ICH GUID IND E14 CLI \n Fridericia LS, 1920, ACTA MED SCAND, V53, P469, DOI [10.1046/j.1542-474x.2003.08413.x, DOI 10.1111/J.0954-6820.1920.TB18266.X] \n Frisch MJ, 2009, GAUSSIAN 09 \n Gaborit N, 2010, J MOL CELL CARDIOL, V49, P639, DOI 10.1016/j.yjmcc.2010.06.005 \n Gima K, 2002, CIRC RES, V90, P889, DOI 10.1161/01.RES.0000016960.61087.86 \n Glukhov AV, 2010, CIRC RES, V106, P981, DOI 10.1161/CIRCRESAHA.109.204891 \n Grandi E, 2018, FRONT PHYSIOL, V9, DOI 10.3389/fphys.2018.00678 \n Grus J., 2015, DATA SCI SCRATCH 1 P \n Harmer A. R., 2008, Journal of Pharmacological and Toxicological Methods, V57, P30, DOI 10.1016/j.vascn.2007.09.002 \n Haverkamp W, 2012, CURR DRUG SAF, V7, P149, DOI 10.2174/157488612802715735 \n Hondeghem LM, 2001, CIRCULATION, V103, P2004 \n Hondeghem LM, 2008, HEART RHYTHM, V5, P1210, DOI 10.1016/j.hrthm.2008.05.006 \n Hondeghem Luc M., 2005, V266, P235 \n HOOVER WG, 1985, PHYS REV A, V31, P1695, DOI 10.1103/PhysRevA.31.1695 \n Hu XH, 2019, PLOS COMPUT BIOL, V15, DOI 10.1371/journal.pcbi.1006689 \n Huang J, 2013, J COMPUT CHEM, V34, P2135, DOI 10.1002/jcc.23354 \n Hummer G, 2005, NEW J PHYS, V7, DOI 10.1088/1367-2630/7/1/034 \n Humphrey W, 1996, J MOL GRAPH MODEL, V14, P33, DOI 10.1016/0263-7855(96)00018-5 \n ICHHT. International Conference on Harmonisation, 2005, NOT FED REG \n Ishii K, 2003, CARDIOVASC RES, V57, P651, DOI 10.1016/S0008-6363(02)00774-5 \n Ishii K, 2001, FEBS LETT, V506, P191, DOI 10.1016/S0014-5793(01)02902-7 \n Jaiswal Abhishek, 2014, Indian Heart J, V66, P640, DOI 10.1016/j.ihj.2013.12.021 \n Jo S, 2008, J COMPUT CHEM, V29, P1859, DOI 10.1002/jcc.20945 \n JORGENSEN WL, 1983, J CHEM PHYS, V79, P926, DOI 10.1063/1.445869 \n Jow F, 2007, J BIOMOL SCREEN, V12, P1059, DOI 10.1177/1087057107307448 \n Kang JS, 2001, MOL PHARMACOL, V59, P122 \n Khan F, 2018, EXPERT OPIN DRUG SAF, V17, P1029, DOI 10.1080/14740338.2018.1520837 \n Kiehn J, 1996, CIRCULATION, V94, P2572, DOI 10.1161/01.CIR.94.10.2572 \n Klauda JB, 2010, J PHYS CHEM B, V114, P7830, DOI 10.1021/jp101759q \n Kligfield P, 2010, AM HEART J, V160, P1023, DOI 10.1016/j.ahj.2010.09.002 \n KUMAR S, 1992, J COMPUT CHEM, V13, P1011, DOI 10.1002/jcc.540130812 \n Langlois MH, 2005, J PHARMACEUT BIOMED, V37, P389, DOI 10.1016/j.jpba.2004.10.022 \n Lau AY, 2011, NAT STRUCT MOL BIOL, V18, P283, DOI 10.1038/nsmb.2010 \n Lenaeus MJ, 2017, P NATL ACAD SCI USA, V114, pE3051, DOI 10.1073/pnas.1700761114 \n Li Matthew, 2017, P T, V42, P473 \n Li ZH, 2019, CLIN PHARMACOL THER, V105, P466, DOI 10.1002/cpt.1184 \n Li ZH, 2017, CIRC-ARRHYTHMIA ELEC, V10, DOI 10.1161/CIRCEP.116.004628 \n Liaw A, 2002, R NEWS, V2, P18, DOI DOI 10.1177/154405910408300516 \n Liu JQ, 2005, J CARDIOVASC ELECTR, V16, P981, DOI 10.1111/j.1540-8167.2005.40677.x \n Liu X, 2017, MEDICINE, V96, DOI 10.1097/MD.0000000000008273 \n Long SB, 2007, NATURE, V450, P376, DOI 10.1038/nature06265 \n Lou Q, 2011, CIRCULATION, V123, P1881, DOI 10.1161/CIRCULATIONAHA.110.989707 \n Lu HR, 2010, BRIT J PHARMACOL, V160, P60, DOI 10.1111/j.1476-5381.2010.00646.x \n Mayne CG, 2013, J COMPUT CHEM, V34, P2757, DOI 10.1002/jcc.23422 \n Melega MV, 2019, J CATARACT REFR SURG, V45, P343, DOI 10.1016/j.jcrs.2018.10.044 \n Mitcheson JS, 2000, P NATL ACAD SCI USA, V97, P12329, DOI 10.1073/pnas.210244497 \n Moreno JD, 2013, CIRC RES, V113, pE50, DOI 10.1161/CIRCRESAHA.113.301971 \n Morganroth J, 2015, BRIT J CLIN PHARMACO, V80, P446, DOI 10.1111/bcp.12684 \n Nakagawa M, 2005, J CARDIOVASC ELECTR, V16, P278, DOI 10.1046/j.1540-8167.2005.40455.x \n Nalos L, 2012, BRIT J PHARMACOL, V165, P467, DOI 10.1111/j.1476-5381.2011.01558.x \n Nattel S, 2006, NAT REV DRUG DISCOV, V5, P1034, DOI 10.1038/nrd2112 \n Neves P, 2007, ANAL BIOANAL CHEM, V387, P1543, DOI 10.1007/s00216-006-1009-x \n Nguyen PT, 2019, P NATL ACAD SCI USA, V116, P2945, DOI 10.1073/pnas.1817446116 \n NOSE S, 1984, J CHEM PHYS, V81, P511, DOI 10.1063/1.447334 \n O'Hara T, 2011, PLOS COMPUT BIOL, V7, DOI 10.1371/journal.pcbi.1002061 \n Okada Y, 1996, J AM COLL CARDIOL, V27, P84, DOI 10.1016/0735-1097(95)00424-6 \n Panicker GK, 2016, BRIT J PHARMACOL, V173, P1373, DOI 10.1111/bph.13436 \n Passini E, 2017, FRONT PHYSIOL, V8, DOI 10.3389/fphys.2017.00668 \n Perrin MJ, 2008, MOL PHARMACOL, V74, P1443, DOI 10.1124/mol.108.049056 \n Phillips JC, 2005, J COMPUT CHEM, V26, P1781, DOI 10.1002/jcc.20289 \n Pokorney SD, 2018, HEART RHYTHM, V15, P478, DOI 10.1016/j.hrthm.2018.01.027 \n Roden DM, 2004, NEW ENGL J MED, V350, P1013, DOI 10.1056/NEJMra032426 \n RODGERS JL, 1988, AM STAT, V42, P59, DOI 10.2307/2685263 \n ROGERS WJ, 1992, NEW ENGL J MED, V327, P227 \n Romero L, 2014, J MOL CELL CARDIOL, V72, P126, DOI 10.1016/j.yjmcc.2014.02.018 \n RYCKAERT JP, 1977, J COMPUT PHYS, V23, P327, DOI 10.1016/0021-9991(77)90098-5 \n Saeys Y, 2007, BIOINFORMATICS, V23, P2507, DOI 10.1093/bioinformatics/btm344 \n Sato D, 2006, CIRC RES, V99, P520, DOI 10.1161/01.RES.0000240542.03986.e7 \n Sato D, 2013, PLOS ONE, V8, DOI 10.1371/journal.pone.0085365 \n Schroeder K, 2003, J BIOMOL SCREEN, V8, P50, DOI 10.1177/1087057102239667 \n Shaw DE, 2014, INT CONF HIGH PERFOR, P41, DOI 10.1109/SC.2014.9 \n Sherazi Saadia, 2008, Cardiol J, V15, P71 \n SHOUP D, 1982, BIOPHYS J, V40, P33, DOI 10.1016/S0006-3495(82)84455-X \n Sorota S, 2005, ASSAY DRUG DEV TECHN, V3, P47, DOI 10.1089/adt.2005.3.47 \n Stass H, 1998, ANTIMICROB AGENTS CH, V42, P2060, DOI 10.1128/AAC.42.8.2060 \n StrambaBadiale M, 1997, EUR HEART J, V18, P1000 \n SYRJALA MT, 1987, ACTA RADIOL, V28, P549 \n Tanskanen AJ, 2007, MATH BIOSCI, V208, P125, DOI 10.1016/j.mbs.2006.09.023 \n Taubel J, 2014, BRIT J CLIN PHARMACO, V77, P170, DOI 10.1111/bcp.12168 \n Thomsen MB, 2006, BRIT J PHARMACOL, V149, P1039, DOI 10.1038/sj.bjp.0706900 \n TORRIE GM, 1977, J COMPUT PHYS, V23, P187, DOI 10.1016/0021-9991(77)90121-8 \n Tulkens PM, 2012, DRUGS R&D, V12, P71, DOI 10.2165/11634300-000000000-00000 \n Van Opstal JM, 2001, EUR J PHARMACOL, V412, P67, DOI 10.1016/S0014-2999(00)00943-2 \n Vanommeslaeghe K, 2012, J CHEM INF MODEL, V52, P3155, DOI 10.1021/ci3003649 \n Vanommeslaeghe K, 2012, J CHEM INF MODEL, V52, P3144, DOI 10.1021/ci300363c \n Vanommeslaeghe K, 2010, J COMPUT CHEM, V31, P671, DOI 10.1002/jcc.21367 \n Vicente J, 2015, J AM HEART ASSOC, V4, DOI 10.1161/JAHA.114.001615 \n Vijayvergiya V, 2015, BIOMED MICRODEVICES, V17, DOI 10.1007/s10544-014-9919-4 \n Voit EO, 2000, COMPUTATIONAL ANAL B \n Vorobyov I, 2018, HEART RHYTHM, V15, P485, DOI 10.1016/j.hrthm.2018.01.028 \n Vorobyov I, 2014, BIOPHYS J, V106, P586, DOI 10.1016/j.bpj.2013.12.027 \n Vorobyov I, 2012, J CHEM THEORY COMPUT, V8, P618, DOI 10.1021/ct200417p \n Waldo AL, 1996, LANCET, V348, P7, DOI 10.1016/S0140-6736(96)02149-6 \n Wang WW, 2017, CELL, V169, P422, DOI 10.1016/j.cell.2017.03.048 \n Wang YB, 2016, SCI REP-UK, V6, DOI 10.1038/srep32536 \n Weerapura M, 2002, PFLUG ARCH EUR J PHY, V443, P520, DOI 10.1007/s004240100720 \n Weerapura M, 2002, J PHYSIOL-LONDON, V540, P15, DOI 10.1113/jphysiol.2001.013296 \n Wysowski DK, 1996, NEW ENGL J MED, V335, P290, DOI 10.1056/NEJM199607253350416 \n Yan GX, 2001, CIRCULATION, V103, P2851 \n Yang PC, 2017, J PHYSIOL-LONDON, V595, P4695, DOI 10.1113/JP273142 \n Yang PC, 2012, FRONT PHYSIOL, V3, DOI 10.3389/fphys.2012.00360 \n Yang PC, 2010, PLOS COMPUT BIOL, V6, DOI 10.1371/journal.pcbi.1000658 \n Yarov-Yarovoy V, 2006, PROTEINS, V62, P1010, DOI 10.1002/prot.20817 \n Young RJ, 2010, P NATL ACAD SCI USA, V107, P15063, DOI 10.1073/pnas.1008837107 \n Yu Z, 2015, BRIT J PHARMACOL, V172, P940, DOI 10.1111/bph.12967 \n Zhang XP, 2009, J CLIN PHARMACOL, V49, P534, DOI 10.1177/0091270008330158", "hasCitationDuplums" : false, "userChangeableUntil" : "2020-08-05T08:58:08.688+0000", "directInstitutesForSort" : "", "ownerAuthorCount" : 6, "ownerInstituteCount" : 22, "directInstituteCount" : 0, "authorCount" : 10, "contributorCount" : 0, "hasQualityFactor" : true, "link" : "/api/publication/31306172", "label" : "Yang Pei-Chi et al. A Computational Pipeline to Predict Cardiotoxicity From the Atom to the Rhythm. (2020) CIRCULATION RESEARCH 0009-7330 1524-4571 126 8 947-964", "template" : "