Abstract
The use of computer simulations as “virtual microscopes” is limited by sampling difficulties that arise fromthe large dimensionality and the complex energy landscapes of biological systems leading to poor convergences already in folding simulations of single proteins. In this chapter, we discuss a few strategies to enhance sampling in bimolecular simulations, and present some recent applications.
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Berhanu, W., Jiang, P., Hansmann, U.H.E. (2014). Enhanced Sampling for Biomolecular Simulations. In: Liwo, A. (eds) Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes. Springer Series in Bio-/Neuroinformatics, vol 1. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-28554-7_8
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DOI: https://doi.org/10.1007/978-3-642-28554-7_8
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