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Assessing the Accuracy and Performance of ImplicitSolvent Models for Drug Molecules: Conformational Ensemble Approaches.

Authors :
Kolář, Michal
Fanfrlík, Jindřich
Lepšík, Martin
Forti, Flavio
Luque, F. Javier
Hobza, Pavel
Source :
Journal of Physical Chemistry B; May2013, Vol. 117 Issue 19, p5950-5962, 13p
Publication Year :
2013

Details

Language :
English
ISSN :
15206106
Volume :
117
Issue :
19
Database :
Supplemental Index
Journal :
Journal of Physical Chemistry B
Publication Type :
Academic Journal
Accession number :
87616203
Full Text :
https://doi.org/10.1021/jp402117c