S. Sattanathan, N.C. Narendra, et al.
CONTEXT 2005
A methodology aimed at improving the accuracy of current docking-scoring procedures is proposed, and validated through detailed tests of its performance in predicting the activity of HIV-1 protease inhibitors. This methodology is based on molecular dynamics simulations using a force field whose effective charges are refined by means of a novel procedure that relies on quantum-mechanical calculations and preserves the internal consistency of the parameterization scheme. © Springer 2005.
S. Sattanathan, N.C. Narendra, et al.
CONTEXT 2005
Erich P. Stuntebeck, John S. Davis II, et al.
HotMobile 2008
Nanda Kambhatla
ACL 2004
Michael C. McCord, Violetta Cavalli-Sforza
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