Molecular Simulations: from biomolecular structures to function

Research report (imported) 2014 - Max Planck Institute of Biophysics

Hummer, Gerhard
Theoretische Biophysik
Molecular simulations allow us to study the functional mechanisms of biomolecules. Thanks to their enormously detailed description, by resolving the motion of every atom, such simulations help to interpret complex experiments. Simulations also allow us to venture into areas which are difficult to access by experiments, such as the detailed characterization of enzymatic reaction mechanisms. Moreover, by “watching proteins at work”, new and fundamental processes can be discovered by using molecular simulations.

For the full text, see the German version.

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