Eth zurich molecular dynamics

eth zurich molecular dynamics

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Molecular Dynamics Simulation
The research group has a long record of methodological contributions and applications in the field of biomolecular simulations, in particular molecular dynamics. Classical molecular dynamics simulations in the HIRES-MULTIDYN project are carried out by the team at ETH Zurich. The role in the project is to provide a. Finally, molecular dynamics makes it possible to simulate biological membranes and the behaviour of proteins that are bound to or embedded in membranes. The.
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We then apply this simulation in optimization settings for, e. Simulation of ligand, inhibitor or coenzyme binding opens the way to calculation and prediction of relative binding constants, which is in turn useful in drug design. A The prediction of the spatial structure of proteins using sequence homology with related proteins of known spatial structure would be very useful.