Rodríguez, Alejandro

Comparison of different quantum mechanical/molecular mechanics boundary treatments in the reaction of the hepatitis C virus NS3 protease with the NS5A/5B substrate. [electronic resource] - The journal of physical chemistry. B Nov 2007 - 12909-15 p. digital

Publication Type: Comparative Study; Journal Article; Research Support, Non-U.S. Gov't

1520-6106

10.1021/jp0743469 doi


Models, Chemical
Molecular Conformation
Quantum Theory
Viral Nonstructural Proteins--chemistry