Welcome to the Theoretical Chemical Biology

We are always looking for students interested in research projects or bachelor/master theses.

More information will be available soon here

Upcoming Conferences
Title	Location	Date
48th Symposium on Theoretical Chemistry	Karlsruhe	23. – 27.09.2012
Functional Dynamics of Biomolecules	Lugano, Switzerland	28. - 30.11.2012

Recent Publications

2012

CT in Model Peptides

A. Heck, P. B. Woiczikowski, T. Kubař, B. Giese, M. Elstner, and T. B. Steinbrecher

"Charge Transfer in Model Peptides: Obtaining Marcus Parameters from Molecular Simulation"

J. Phys. Chem. B, 2012, 116 (7), pp 2284–2293, Link to article

Structural Model of Channelrhodopsin

H. C. Watanabe, K. Welke, F. Schneider, S. Tsunoda, F. Zhang, K. Deisseroth, P. Hegemann and M. Elstner

"Structural model of channelrhodopsin"

J. Biol. Chem., 2012, Link to article

CT in stretched DNA

M.Wolter, P. B. Woiczikowski, M. Elstner and T. Kubar

"Response of the electric conductivity of double-stranded DNA on moderate mechanical stretching stresses"

Phys. Rev. B, 2012, Link to article

Path through the amorphous solid (Alq3)

A. Fuchs, T. Steinbrecher, M. S. Mommer, Y. Nagata, M. Elstner and C. Lennartz

"Molecular Origin of Differences in Hole and Electron Mobility in Amorphous Alq3 - A Multiscale Simulation Study"

Phys. Chem. Chem. Phys., 2012, Link to article

2011

Binding Pocket of the Channelrhodopsin

K. Welke, J. S. Frähmcke, H. C. Watanabe, P. Hegemann and M. Elstner

"Color Tuning in Binding Pocket Models of the Chlamydomonas-Type Channelrhodopsins"

J. Phys. Chem. B, 2011, Link to article

Structure and Stretching of Microhydrated DNA

M. Wolter, M. Elstner and T. Kubar

"On the Structure and Stretching of Microhydrated DNA"

J. Phys. Chem. A, 2011 Link to article