Improving the Prediction of Absolute Solvation Free...

Journal of Chemical Theory and Computation 2012 / 08 Vol. 8; Iss. 8

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, Woody
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Volume:
8
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct300203w
Date:
August, 2012
File:
PDF, 1.56 MB
english, 2012
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