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..?
A little heater that couldn’t
January 3, 2025 at 11:00 AM
A little heater that couldn’t
Sounds like academia
December 20, 2024 at 7:31 PM
Sounds like academia
I’m using this one daily 😁 (after a 12 years hiatus)
December 20, 2024 at 6:08 PM
I’m using this one daily 😁 (after a 12 years hiatus)
One of the nicest things in academia, I’ve been working with really great and curious students
December 14, 2024 at 2:23 PM
One of the nicest things in academia, I’ve been working with really great and curious students
Some students art from todays session
December 4, 2024 at 12:22 PM
Some students art from todays session
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
Yup, this is how simulated IV curves look like now (different colors are for slightly different parameters we developed), compared to experiments (black)
we do not have to go to high voltages anymore and we get decent inward permeation as well (for MthK we even reproduce inward rectification)
we do not have to go to high voltages anymore and we get decent inward permeation as well (for MthK we even reproduce inward rectification)
November 21, 2024 at 8:53 AM
Yup, this is how simulated IV curves look like now (different colors are for slightly different parameters we developed), compared to experiments (black)
we do not have to go to high voltages anymore and we get decent inward permeation as well (for MthK we even reproduce inward rectification)
we do not have to go to high voltages anymore and we get decent inward permeation as well (for MthK we even reproduce inward rectification)
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...