David Řeha

Computational chemistry
reha at nh.cas.cz
(+420)-38-777-6231
C 01 020
Part time also at the Institute of Microbiology ASCR, Nove Hrady

M.Sc. 2000, Faculty of Science, Charles University, Prague, Czech Republic
Ph.D. 2005, Faculty of Science, Charles University, Prague, Czech Republic
2005 – 2007, postdoc, Masaryk University, Brno, Czech Republic
2007 – 2009, postdoc, University of Leeds, UK
2009 – 2011, postdoc, University of Essex, Colchester, UK 
2011 – 2016, INSB, Global Change Research Center ASCR, Nove Hrady, Czech Republic
2016 – present, CNSB, Institute of Microbiology ASCR, Nove Hrady, Czech Republic
2012 – present, Faculty of Science,University of South Bohemia, Ceske Budejovice, Czech Republic


Research interests
Study of the functional properties of DNA and proteins; mechanisms of enzymatic reactions and modelling their transition states; charge transfer, and calculation of spectroscopic properties of macromolecules using computational methods including molecular dynamics (MD) simulations, quantum mechanics/molecular mechanics (QM/MM) calculations, and molecular docking..
Development of the new methods and their implementation for computational studies of biomolecules, e.g., MM polarization for QM/MM calculations.

Publications
http://publicationslist.org/david.reha