G. Ramalingam
Theoretical Computer Science
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.
G. Ramalingam
Theoretical Computer Science
David S. Kung
DAC 1998
Bowen Zhou, Bing Xiang, et al.
SSST 2008
Pradip Bose
VTS 1998