Former Members

Milica Milosavljević

Ina Pöhner

Timm Essigke: Calculating Redox Potentials by Quantum Chemical and Electrostatic Methods

Mikolaj Feliks: QM and QM/MM Calculations of Enzyme Mechanisms

Nadezhda Dushutina: QM and QM/MM Calculations of Enzyme Mechanisms

Thomas Ullmann: Mechanism of Cytochrome bc1

Silke Wieninger: Modelling Conformational Changes of Proteins

Elisa Bombarda: pH-dependend Dynamics of a Fluorescent Protein

Veronica Dumit: Mechanism of FNR

Frank Dickert: Flavinprotein Reactions

Mirco Till: Proton Transfer in Proteins

Edda Kloppmann: Electrostatic Calculations at Retinal Proteins

Eva-Maria Krammer: Mechanism of Reaction Centers

Punnagai Munusamy: Coupling of Electron and Proton Transfer

Torsten Becker: Binding of Water Molecules to Proteins

Siriporn Promsri: Molecular Dynamics Simulations of Membrane/Protein Systems

Astrid Klingen: Investigating the Mechanism of Cytochrome bc1 by Continuum Electrostatic Calculations

Zoe Cournia: Automated Force Field Derivation, Simulation of Membranes, Effect of Cholersterol on Membrane Dynamics (in Heidelberg; coadvisor Jeremy C. Smith)

Durba Sengupta: Modelling of Membrane Proteins, Protein Homology Modelling, SNARE-Protein Function (in Heidelberg; coadvisor Jeremy C. Smith)

Andrei Borodich: Binding of Water Molecules to Proteins. (Postdoc, 11/2002 - 06/2004); now working with Prof. Mark Whitmore at the University of Manitoba (Canada)

Nicolas Calimet: Methods for Identifying Proton Transfer Paths, Effects of Transmembrane Gradients on Protein Function. (Postdoc, 04/2001 - 12/2003); now working with R. C. Wade at EML Heidelberg

Raghu Nath Behera: Combining Electrostatic and Density Functional Calculations to Study Enzyme Function. (Postdoc, 07/2002 - 12/2003, University Heidelberg); now he has a faculty position at the Birla Institute of Technology and Science

Antoine Taly: Coupling of Protonation and Conformational Changes in the Photosynthetic Reaction Center (Ph. D.student April 2001 - April 2003, coadvisors Jeremy C. Smith and Pierre Sebban); now at the Pasteur Institute Paris working with Prof. Changeux

Jiancong Xu: Continuum Electrostatic Calculations on Bacteriorhodopsin (Master student, October 2001 - April 2002); now in Salt Lake City with doing her Ph.D. with Prof. Gregory Voth

Denis Pilipenko: Continuum Electrostatic Calculations for Studying Membrane Proteins (Visiting Scientist, February 2001 - March 2001); now in Belgium doing a Ph. D. in solid state physics