Charge optimization of the interface between protein kinases and their ligands.

Peter A. Sims Chung F. Wong James Andrew McCammon

Published in: J. Comput. Chem. (2004)

Keyphrases

drug design
virtual screening
optimization problems
protein sequences
optimization algorithm
direct manipulation
data sets
global optimization
protein structure
amino acids
protein structure prediction
optimization method
high throughput
protein folding