Anisotropic, polarizable molecular mechanics studies of inter-, intramolecular interactions, and ligand-macromolecule complexes.A bottom-up strategy

Nohad Gresh (1) , G. Andres Cisneros , T.A. Darden , J.-P. Piquemal

1 PMC - UMR_S 648 - Pharmacochimie Moléculaire et Cellulaire

Domains: Theoretical and/or physical chemistry

Nohad Gresh, G. Andres Cisneros, T.A. Darden, J.-P. Piquemal. Anisotropic, polarizable molecular mechanics studies of inter-, intramolecular interactions, and ligand-macromolecule complexes.A bottom-up strategy. Journal of Chemical Theory and Computation, 2007, 3, pp.1960. ⟨hal-00494588⟩