Jiri Kozelka
Université Paris Diderot, France
Biography
Jiri Kozelka is Directeur de Recherche Emeritus in the laboratory « Dynamique des Systèmes et Interactions des Macromolécules Biologiques » (Université Paris Diderot, France) and Professor of biophysics at Masaryk university in Brno, Czech Republic. His domains of research include platinum antitumor drugs, DNA and
protein structure, and weak interactions in chemistry and biology. In the present work, his team took profit from the availability of QM/MM models for the formate oxidation inside formate dehydrogenase to analyze the energy components of the interaction between the substrate (formate) and the cofactor (NAD+), in the orientation that the reaction partners have in the active site.