ArticlebioRxiv : the preprint server for biology2025
Prediction of TdP Arrhythmia Risk Through Molecular Simulations of Conformation-specific Drug Interactions with the hERG K
Kyle C Rouen, Kush Narang, Yanxiao Han, David Wang, Ensley Jang, Sophia Brunkow, Vladimir Yarov-Yarovoy, Alexander D MacKerell, Igor Vorobyov
Abstract readPreprint
In one paragraphArticle in bioRxiv : the preprint server for biology, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
0numbers the graph read from it
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0citing papers in PubMed
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What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
2 · The registryThe trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
3 · Its place in the literatureWho cites it
0 citing papers in PubMed.
No citing paper in PubMed yet.
4 · The recordCorrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
5 · Who and what moneyAuthors and funding
9 authors.
Kyle C RouenDepartment of Physiology and Membrane Biology, University of California, Davis, CA, 95616, USA.ORCID 0000-0001-8684-0614 Kush NarangDepartment of Physiology and Membrane Biology, University of California, Davis, CA, 95616, USA.
Yanxiao HanDepartment of Physiology and Membrane Biology, University of California, Davis, CA, 95616, USA.
David WangDepartment of Surgery, University of California, Davis, CA, 95616, USA.
Ensley JangDepartment of Chemistry, University of California, Davis, CA, 95616, USA.
Sophia BrunkowDepartment of Chemistry, University of California, Davis, CA, 95616, USA.
Vladimir Yarov-YarovoyDepartment of Physiology and Membrane Biology, University of California, Davis, CA, 95616, USA.
Alexander D MacKerellDepartment of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, MD 21201, USA.ORCID 0000-0001-8287-6804 Igor VorobyovDepartment of Physiology and Membrane Biology, University of California, Davis, CA, 95616, USA.
Funding
Training Program In Basic & Translational Cardiovascular ScienceT32HL086350 · NHLBI · UNIVERSITY OF CALIFORNIA AT DAVIS · PI Martin Cadeiras, David A. Liem · 2008 to 2026
$7.1MMacromolecular Conformational HeterogeneityR35GM131710 · NIGMS · UNIVERSITY OF MARYLAND BALTIMORE · PI ALEXANDER D MACKERELL · 2019 to 2026
$6.2MDevelopment of the Predictive NeuroCardiovascular SimulatorOT2OD026580 · OD · UNIVERSITY OF CALIFORNIA AT DAVIS · PI CLANCY, COLLEEN E, GRANDI, ELEONORA · 2018 to 2021
$5.7MIn silico Safety PharmacologyR01HL128537 · NHLBI · UNIVERSITY OF CALIFORNIA AT DAVIS · PI CLANCY, COLLEEN E, SANTANA, LUIS F · 2016 to 2024
$5.7MPredictive multiscale in silico cardio-pharmacologyU01HL126273 · NHLBI · UNIVERSITY OF CALIFORNIA AT DAVIS · PI CLANCY, COLLEEN E · 2015 to 2019
$3.8MMulti-Scale Modeling of Vascular Signaling UnitsR01HL152681 · NHLBI · UNIVERSITY OF CALIFORNIA AT DAVIS · PI CLANCY, COLLEEN E, SANTANA, LUIS F · 2020 to 2023
$2.4MDigital Twins from the Atom to the RhythmR01HL174001 · NHLBI · UNIVERSITY OF CALIFORNIA AT DAVIS · PI COLLEEN E CLANCY, Luis F Santana · 2024 to 2026
$2.4MUC Davis Training Program in Chemical BiologyT32GM136597 · NIGMS · UNIVERSITY OF CALIFORNIA AT DAVIS · PI SHEILA Sue DAVID, Marie C. Heffern · 2021 to 2026
$1.7MInvestigation of state-specific drug binding to cardiac ion channels to reveals mechanisms of arrhythmogenesisF31HL174025 · NHLBI · UNIVERSITY OF CALIFORNIA AT DAVIS · PI ROUEN, KYLE C · 2024 to 2025
$84kNHLBI NIH HHS F31 HL174025NHLBI NIH HHS R01 HL128537NHLBI NIH HHS R01 HL152681NHLBI NIH HHS R01 HL174001NHLBI NIH HHS T32 HL086350NHLBI NIH HHS U01 HL126273NIGMS NIH HHS R35 GM131710NIGMS NIH HHS T32 GM136597NIH HHS OT2 OD026580
6 · The paper itselfAbstract
Unintended block of cardiac ion channels, particularly hERG (K
Indexed as
cardiac arrhythmiaion channelsmachine learningmolecular dockingmolecular dynamics simulations
Identifiers
PMID41040275
PMCPMC12485723
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