articleJournal of Computer-Aided Molecular DesignMar 25, 2015GREEN OA

Guidelines for the analysis of free energy calculations

PVPavel V. KlimovichMRMichael R. ShirtsDLDavid L. Mobley

University of California, Irvine · University of Virginia · +1 more institution

PubMed
Indexed incrossrefpubmed

Abstract

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535
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17.47
Percentile
100%
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50
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3

Topics & keywords

Topics
Keywords
  • Computer science
  • Python (programming language)
  • Estimator
  • Replica
  • Byte
  • Energy analysis
  • Computational science
  • Data mining
UN Sustainable Development Goals
  • Affordable and clean energy
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