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WScore: A Flexible and Accurate Treatment of Explicit Water Molecules in Ligand-Receptor Docking.
J Med Chem. 2016 May 12;59(9):4364-84. doi: 10.1021/acs.jmedchem.6b00131. Epub 2016 Apr 22.
J Med Chem. 2016.
PMID: 27054459
Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments.
Sastry GM, Adzhigirey M, Day T, Annabhimoju R, Sherman W.
Sastry GM, et al. Among authors: annabhimoju r.
J Comput Aided Mol Des. 2013 Mar;27(3):221-34. doi: 10.1007/s10822-013-9644-8. Epub 2013 Apr 12.
J Comput Aided Mol Des. 2013.
PMID: 23579614
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