HomePh.D. Study at IOCBTopics 2019Physical and Computational Chemistry

Physical and Computational Chemistry

Tutor Prof. Pavel Jungwirth, Ph.D.

Pavel Jungwirth

Topic Simulations of translocation processes in cellular membranes

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.

1. 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.
2. Melcrová A., Pokorná S., Pullanchery S., Kohagen M., Jurkiewicz P., Hof M., Jungwirth P., Cremer P.S.: The Complex Nature of Calcium Cation Interactions with Phospholipid Bilayers. Scientific Reports 6 (2016) 38035.
3. Robison A.D., Sun S., Poyton M.F., Johnson G.A., Pellois J.-P., Jungwirth P., Vazdar M., Cremer P.S.: Polyarginine Interacts More Strongly and Cooperatively than Polylysine With Phospholipid Bilayers. Journal of Physical Chemistry B 120 (2016) 9287.
4. Allolio C., Baxova K., Vazdar M., Jungwirth P.: Guanidinium Pairing Facilitates Membrane Translocation. Journal of Physical Chemistry B 120 (2016) 143.