Open AccessCorrection to Small Molecule Hydration Free Energies in Explicit Solvent: An Extensive Test of Fixed-Charge Atomistic Simulations
Author(s) -
David L. Mobley,
Christopher I. Bayly,
Matthew D. Cooper,
Michael R. Shirts,
Ken A. Dill
Publication year - 2015
Publication title -
journal of chemical theory and computation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.001
H-Index - 185
eISSN - 1549-9626
pISSN - 1549-9618
DOI - 10.1021/acs.jctc.5b00154
Subject(s) - charge (physics) , molecule , solvent , fixed charge , chemical physics , computational chemistry , computer science , statistical physics , chemistry , physics , quantum mechanics , organic chemistry
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