Wojciech Kopec
@wojciechkopec.bsky.social
Lecturer in Computational Pharmaceutical Chemistry at Queen Mary University of London | Visiting Scientist at the Max Planck Institute for Multidisciplinary Sciences | Computational Electrophysiology & Ion Channels
Poland->Denmark->USA->Germany->UK..?
Poland->Denmark->USA->Germany->UK..?
K+ ions finding their way to bind to the sodium-potassium pump (Na,K-ATPase) in the outside open conformation. Fun simulations from my PhD times
November 27, 2024 at 3:40 PM
K+ ions finding their way to bind to the sodium-potassium pump (Na,K-ATPase) in the outside open conformation. Fun simulations from my PhD times
MD simulations of K+ ions permeation through the MthK potassium channel, done at +150 mV. We developed and applied optimized ion parameters within the Electronic Continuum Correction (ECC) framework. The simulated current quantitatively matches the experimental one.
www.biorxiv.org/content/10.1...
www.biorxiv.org/content/10.1...
November 21, 2024 at 8:12 AM
MD simulations of K+ ions permeation through the MthK potassium channel, done at +150 mV. We developed and applied optimized ion parameters within the Electronic Continuum Correction (ECC) framework. The simulated current quantitatively matches the experimental one.
www.biorxiv.org/content/10.1...
www.biorxiv.org/content/10.1...