Mariya Shamzhy from the Department of Physical and Macromolecular Chemistry (CUCAM Research Centre) is tackling one of the long-standing key challenges for materials scientists - understanding how heterogeneous catalysts facilitate …
ORGANISATION/COMPANY: Charles University, Faculty of Science, Dept. of Physical and Macromolecular Chemistry RESEARCH FIELD: Physical chemistry APPLICATION DEADLINE: February 28 2022 23:00 - Europe/Brussels LOCATION: Czech Republic, Prague 2 TYPE …
Journal of Materials Chemistry C , 9, 11132-11141 (2021) Shuo Li, Junjie He, Lukáš Grajciar and Petr Nachtigall
ACS Catalysis, 11(4), 2366–2396. (2021) link Shamzhy, M., Gil, B., Opanasenko, M., Roth, W. J., Čejka, J.
We use coarse-grained (CG) models to study protein dynamics efficiently. By applying Boltzmann inversion, we derive interaction potentials from atomistic data, preserving key structural features. These models help explore protein …
