2012 | OriginalPaper | Buchkapitel
Proteins Studied by Computer Simulations
verfasst von : Ulrich H. E. Hansmann
Erschienen in: Mathematical Modeling and Computational Science
Verlag: Springer Berlin Heidelberg
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Computer simulations can complement experiments in molecular biology; and are sometimes the only instrument to probe fundamental processes in the cell. However, their use is hampered by poor convergence. I summarize a number of now widely utilized algorithms that help to alleviate these sampling difficulties, and review recent results that demonstrate the power of these techniques in protein simulations.