Understanding the HIV-1 protease reactivity with DFT: what do we gain from recent functionals? [electronic resource]
- The journal of physical chemistry. B Jul 2011
- 8545-58 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
1520-5207
10.1021/jp200565w doi
Catalytic Domain Computer Simulation HIV Protease--chemistry Humans Models, Molecular Molecular Structure Protein Conformation Quantum Theory