Vorobyov I - Search Results

1

A Computational Pipeline to Predict Cardiotoxicity: From the Atom to the Rhythm.

Yang PC, DeMarco KR, Aghasafari P, Jeng MT, Dawson JRD, Bekker S, Noskov SY, Yarov-Yarovoy V, Vorobyov I, Clancy CE. Yang PC, et al. Among authors: vorobyov i. Circ Res. 2020 Apr 10;126(8):947-964. doi: 10.1161/CIRCRESAHA.119.316404. Epub 2020 Feb 24. Circ Res. 2020. PMID: 32091972 Free PMC article.

2

Local anesthetic and antiepileptic drug access and binding to a bacterial voltage-gated sodium channel.

Boiteux C, Vorobyov I, French RJ, French C, Yarov-Yarovoy V, Allen TW. Boiteux C, et al. Among authors: vorobyov i. Proc Natl Acad Sci U S A. 2014 Sep 9;111(36):13057-62. doi: 10.1073/pnas.1408710111. Epub 2014 Aug 18. Proc Natl Acad Sci U S A. 2014. PMID: 25136136 Free PMC article.

3

The Role of Atomic Polarization in the Thermodynamics of Chloroform Partitioning to Lipid Bilayers.

Vorobyov I, Bennett WF, Tieleman DP, Allen TW, Noskov S. Vorobyov I, et al. J Chem Theory Comput. 2012 Feb 14;8(2):618-28. doi: 10.1021/ct200417p. Epub 2012 Jan 18. J Chem Theory Comput. 2012. PMID: 26596610

4

Atomic Level Anisotropy in the Electrostatic Modeling of Lone Pairs for a Polarizable Force Field Based on the Classical Drude Oscillator.

Harder E, Anisimov VM, Vorobyov IV, Lopes PE, Noskov SY, MacKerell AD, Roux B. Harder E, et al. J Chem Theory Comput. 2006 Nov;2(6):1587-97. doi: 10.1021/ct600180x. J Chem Theory Comput. 2006. PMID: 26627029

5

A multiscale computational modelling approach predicts mechanisms of female sex risk in the setting of arousal-induced arrhythmias.

Yang PC, Perissinotti LL, López-Redondo F, Wang Y, DeMarco KR, Jeng MT, Vorobyov I, Harvey RD, Kurokawa J, Noskov SY, Clancy CE. Yang PC, et al. Among authors: vorobyov i. J Physiol. 2017 Jul 15;595(14):4695-4723. doi: 10.1113/JP273142. Epub 2017 Jun 14. J Physiol. 2017. PMID: 28516454 Free PMC article.

6

Digging into Lipid Membrane Permeation for Cardiac Ion Channel Blocker d-Sotalol with All-Atom Simulations.

DeMarco KR, Bekker S, Clancy CE, Noskov SY, Vorobyov I. DeMarco KR, et al. Among authors: vorobyov i. Front Pharmacol. 2018 Feb 1;9:26. doi: 10.3389/fphar.2018.00026. eCollection 2018. Front Pharmacol. 2018. PMID: 29449809 Free PMC article.

7

Sex, drugs, and funky rhythms.

Vorobyov I, Clancy CE. Vorobyov I, et al. Heart Rhythm. 2018 Apr;15(4):485-486. doi: 10.1016/j.hrthm.2018.01.028. Heart Rhythm. 2018. PMID: 29605014 No abstract available.

8

Challenges and advances in atomistic simulations of potassium and sodium ion channel gating and permeation.

DeMarco KR, Bekker S, Vorobyov I. DeMarco KR, et al. Among authors: vorobyov i. J Physiol. 2019 Feb;597(3):679-698. doi: 10.1113/JP277088. Epub 2018 Dec 19. J Physiol. 2019. PMID: 30471114 Free PMC article. Review.

9

Structural basis for antiarrhythmic drug interactions with the human cardiac sodium channel.

Nguyen PT, DeMarco KR, Vorobyov I, Clancy CE, Yarov-Yarovoy V. Nguyen PT, et al. Among authors: vorobyov i. Proc Natl Acad Sci U S A. 2019 Feb 19;116(8):2945-2954. doi: 10.1073/pnas.1817446116. Epub 2019 Feb 6. Proc Natl Acad Sci U S A. 2019. PMID: 30728299 Free PMC article.

10

A demonstration of modularity, reuse, reproducibility, portability and scalability for modeling and simulation of cardiac electrophysiology using Kepler Workflows.

Yang PC, Purawat S, Ieong PU, Jeng MT, DeMarco KR, Vorobyov I, McCulloch AD, Altintas I, Amaro RE, Clancy CE. Yang PC, et al. Among authors: vorobyov i. PLoS Comput Biol. 2019 Mar 8;15(3):e1006856. doi: 10.1371/journal.pcbi.1006856. eCollection 2019 Mar. PLoS Comput Biol. 2019. PMID: 30849072 Free PMC article.

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