The protocols and tools under Simulation allow you to run energy calculations, solvation, energy minimization, and molecular dynamics simulations using the CHARMm and other programs.
The protocols under Simulation serve the following types of users:
Experimental structure determination involves difficult methods that require a significant amount of expertise and resources. Protein Modeling on the other hand enables access to sensible structural models in much shorter periods of time. The major aim of protein modeling is the prediction of a protein’s tertiary structure from its primary structure. To this end a diverse range of approaches have been developed comparative, de novo or ab initio structure prediction.
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