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Proteins Studied by Computer Simulations

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Part of the Lecture Notes in Computer Science book series (LNTCS,volume 7125)

Abstract

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.

Keywords

  • Root Mean Square Deviation
  • Exchange Move
  • Menkes Disease
  • Parallel Tempering
  • Replica Exchange

These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Hansmann, U.H.E. (2012). Proteins Studied by Computer Simulations. In: Adam, G., Buša, J., Hnatič, M. (eds) Mathematical Modeling and Computational Science. MMCP 2011. Lecture Notes in Computer Science, vol 7125. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-28212-6_5

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  • DOI: https://doi.org/10.1007/978-3-642-28212-6_5

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-28211-9

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