BioinformaticsPLoS ONEPeer-reviewed
Ligand-induced Conformational Selection Predicts the Selectivity of Cysteine Protease Inhibitors
G. Sartori, Andrei Leitão, Carlos Alberto Montanari, Charles A. Laughton
The paper uses molecular dynamics simulations to predict the selectivity of cysteine protease inhibitors by analyzing ligand-induced conformational changes.
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