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Empirical entropic contributions in computational docking: evaluation in APS reductase complexes

Academic Article
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Overview

authors

  • Chang, M. W.
  • Belew, R. K.
  • Carroll, Kate
  • Olson, Arthur
  • Goodsell, David

publication date

  • August 2008

journal

  • Journal of Computational Chemistry  Journal

subject areas

  • Binding Sites
  • Carbohydrates
  • Cluster Analysis
  • Empirical Research
  • Entropy
  • Ligands
  • Oxidoreductases Acting on Sulfur Group Donors
  • Protein Binding
  • Protein Conformation
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Research

keywords

  • AutoDock
  • computational clocking
  • configurational entropy
  • empirical free energy force fields
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Identity

PubMed Central ID

  • PMC3052286

International Standard Serial Number (ISSN)

  • 0192-8651

Digital Object Identifier (DOI)

  • 10.1002/jcc.20936

PubMed ID

  • 18351616
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Additional Document Info

start page

  • 1753

end page

  • 1761

volume

  • 29

issue

  • 11

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