Physical and Computational Chemistry

Pavel Jungwirth

The dissertation will focus on molecular simulations aiming to unravel at the molecular level key processes connected with translocation across cell membranes. Particular attention is paid to effects due to oxidative stress, ions, and specific membrane-associated peptides and proteins that are involved in numerous human diseases.

Membranes, peptides, molecular dynamics.

References:
Timr S., Pleskot R., Kadlec J., Kohagen M., Magarkar A., Jungwirth P.:
Membrane Binding of Recoverin: From Mechanistic Understanding to Biological Functionality.
ACS Central Science 3 (2017) 868.