Determinants of Isoform-Specific Gating Kinetics of hERG1 Channel: Combined Experimental and Simulation Study

Autor: Laura L. Perissinotti, Pablo M. De Biase, Jiqing Guo, Pei-Chi Yang, Miranda C. Lee, Colleen E. Clancy, Henry J. Duff, Sergei Y. Noskov

Publikováno v: Frontiers in Physiology, Vol 9 (2018)

IKr is the rapidly activating component of the delayed rectifier potassium current, the ion current largely responsible for the repolarization of the cardiac action potential. Inherited forms of long QT syndrome (LQTS) (Lees-Miller et al., 1997) in h

Externí odkaz: https://doaj.org/article/55a6b48ac7ca4144877062bf442031c9

Determinants of Isoform-Specific Gating Kinetics of hERG1 Channel: Combined Experimental and Simulation Study

Autor: Colleen E. Clancy, Henry J. Duff, Pablo M. De Biase, Sergei Y. Noskov, Pei Chi Yang, Laura L. Perissinotti, Miranda C. Lee, Jiqing Guo

Publikováno v: Frontiers in physiology, vol 9, iss APR
Frontiers in Physiology
Frontiers in Physiology, Vol 9 (2018)

IKr is the rapidly activating component of the delayed rectifier potassium current, the ion current largely responsible for the repolarization of the cardiac action potential. Inherited forms of long QT syndrome (LQTS) (Lees-Miller et al., 1997) in h

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2f506cedeb784c98a762eb2ac4f3d6a8
https://escholarship.org/uc/item/5qb76820

BROMOCEA Code: An Improved Grand Canonical Monte Carlo/Brownian Dynamics Algorithm Including Explicit Atoms

Autor: Sergei Y. Noskov, Karunakar R. Pothula, Ulrich Kleinekathöfer, Pablo M. De Biase, Jigneshkumar Dahyabhai Prajapati, Carlos J. F. Solano

Publikováno v: Journal of chemical theory and computation. 12(5)

All-atom molecular dynamics simulations have a long history of applications studying ion and substrate permeation across biological and artificial pores. While offering unprecedented insights into the underpinning transport processes, MD simulations

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::076f28435ae52b962cb32954ab9029fc
https://pubmed.ncbi.nlm.nih.gov/27088446

Dry Excess Electrons in Room-Temperature Ionic Liquids

Autor: Pablo M. De Biase, Jorge Kohanoff, Claudio J. Margulis, David F. Coker, Harsha V. R. Annapureddy, Mario G. Del Pópolo

Publikováno v: Margulis, C J, Annapureddy, H V R, De Biase, P M, Coker, D, Kohanoff, J & Del Popolo, M G 2011, ' Dry Excess Electrons in Room-Temperature Ionic Liquids ', Journal of the American Chemical Society, vol. 133, no. 50, pp. 20186-20193 . https://doi.org/10.1021/ja203412v

In this article, we describe general trends to be expected at short times when an excess electron is generated or injected in different room-temperature ionic liquids (RTILs). Perhaps surprisingly, the excess electron does not localize systematically

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ad92ccf78f78d56772d006561fdcd8cf
https://doi.org/10.1021/ja203412v

HNO trapping and assisted decomposition of nitroxyl donors by ferric hemes

Autor: Marcelo A. Martí, Sebastian Suarez, Pablo M. De Biase, Darío A. Estrin, Fabio Doctorovich, Sara E. Bari

Publikováno v: Polyhedron. 26:4673-4679

The role of nitric oxide (NO) as a signalling molecule in biological systems has been thoroughly studied in the last decades. More recently, there has been an increasing interest in the one-electron reduction product of NO, namely nitroxyl (HNO/NO−

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::9c37ffb9b5451e25c4549842ffe058d9
https://doi.org/10.1016/j.poly.2007.05.040