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Proteins Studied by Computer Simulations

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Mathematical Modeling and Computational Science (MMCP 2011)

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

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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.

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Author information

Authors and Affiliations

  1. Department of Chemistry and Biochemistry, University of Oklahoma, Norman, OK, 73019, USA

    Ulrich H. E. Hansmann

Authors
  1. Ulrich H. E. Hansmann
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Editors and Affiliations

  1. Laboratory of Information Technologies, Joint Institute for Nuclear Research, 6 Joliot Curie St., 141980, Dubna, Russia

    Gheorghe Adam

  2. Technical University of Košice, Němcovej 32, 042 00, Košice, Slovakia

    Ján Buša

  3. Pavol Jozef Šafárik University, Jesenná 5, 040 01, Košice, Slovakia

    Michal Hnatič

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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

  • Online ISBN: 978-3-642-28212-6

  • eBook Packages: Computer ScienceComputer Science (R0)

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