Donald Samuels, Ian Stobert
SPIE Photomask Technology + EUV Lithography 2007
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.
Donald Samuels, Ian Stobert
SPIE Photomask Technology + EUV Lithography 2007
Elena Cabrio, Philipp Cimiano, et al.
CLEF 2013
Oliver Bodemer
IBM J. Res. Dev
Rafae Bhatti, Elisa Bertino, et al.
Communications of the ACM