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Improving the Prediction of Absolute Solvation Free Energies Using the Next Generation OPLS Force Field
Shivakumar, Devleena, Harder, Edward, Damm, Wolfgang, Friesner, Richard A., Sherman, WoodyVolume:
8
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct300203w
Date:
August, 2012
File:
PDF, 1.56 MB
english, 2012