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Molecular Simulations Group, Prof. K.V. Shaitan

Welcome!

Molecular Simulations Group belongs to the Chair of Bioengineering at the Faculty of Biology, Moscow State Lomonosov University. The head of the group is Professor Konstantin V. Shaitan

We develop and apply modern computer simulation methods (molecular dynamics, quantum chemistry, QM/MM methods, coarse-grain simulations) to study biological and nano systems at molecular level. For more information about molecular simulations click here.
Our old website http://www.moldyn.org is now archived.

Research Highlights

Molecular modeling of ion transport process through bacterial potassium channel KcsA.
The bacterial potassium channel KcsA which is simplified model of eucaryotic voltage-dependent potassium channels has been chosen as an object of investigation. The studying of KcsA structure and...

Research Highlights

Dynamics of nucleosomes and elongation complexes
We apply molecular simulation methods to study the dynamics of nucleosomes and elongation complexes in collaboration with Laboratory of transcription regulation and replication headed by Prof. V....