An efficient protocol for obtaining accurate hydration free energies using quantum chemistry and reweighting from molecular dynamics simulations

Published 2016 View Full Article

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Title
An efficient protocol for obtaining accurate hydration free energies using quantum chemistry and reweighting from molecular dynamics simulations
Authors
Keywords
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Journal
BIOORGANIC & MEDICINAL CHEMISTRY
Volume 24, Issue 20, Pages 4988-4997
Publisher
Elsevier BV
Online
2016-08-24
DOI
10.1016/j.bmc.2016.08.031

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