Former Members
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