Prediction of free energies of hydration with COSMO-RS on the SAMPL4 data set

Published 2014 View Full Article

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Title
Prediction of free energies of hydration with COSMO-RS on the SAMPL4 data set
Authors
Keywords
Free energy of solvation, Hydration free energy, COSMO-RS, SAMPL4, Molecular modeling, Molecular simulation
Journal
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
Volume 28, Issue 3, Pages 169-173
Publisher
Springer Nature
Online
2014-01-13
DOI
10.1007/s10822-013-9701-3
References
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