pKa, MM, and QM studies of mechanisms of -lactamases and penicillin-binding proteins: Acylation step.

Irina Massova Peter A. Kollman

Published in: J. Comput. Chem. (2002)

Keyphrases

empirical studies
protein sequences
post processing
computational methods
protein function
protein protein interaction networks
chemical compounds
drug design
rms error