LOGIN
PASS
^^^

Řeha lab


Scientist
  Dr. David Řeha, PhD.
Graduate Student
  MSc. Saurabh Pandey
Head
Mgr. David Řeha, PhD.
Phone: +420 389033801
Fax: +420 386361279
reha@nh.cas.cz
Address
Zámek 136, CZ-37333 Nové Hrady

Research

The lab has its focus on the modelling of biomolecular systems and the study of intermolecular interactions using computational methods including molecular dynamics (MD) simulations, quantum mechanics/molecular mechanics (QM/MM) calculations, and molecular docking. Current research projects are focused on studying the functional properties of DNA and a wide range of proteins including membrane proteins; the study of mechanisms of enzymatic reactions and modelling their transition states; the study of charge transfer in DNA, photosynthetic proteins, and redox proteins; and calculation of spectroscopic properties (IR, NMR, UV) of macromolecules. The lab also aims to develop new methods and implement them for computational studies of biomolecules, e.g., MM polarization for QM/MM calculations.