Conformational analysis of a polyconjugated protein-binding ligand by joint quantum chemistry and polarizable molecular mechanics. Addressing the issues of anisotropy, conjugation, polarization, and multipole transferability
Titel:
Conformational analysis of a polyconjugated protein-binding ligand by joint quantum chemistry and polarizable molecular mechanics. Addressing the issues of anisotropy, conjugation, polarization, and multipole transferability
Auteur:
Goldwaser, Elodie Courcy, Benoit de Demange, Luc Garbay, Christiane Raynaud, Françoise Hadj-Slimane, Reda Piquemal, Jean-Philip Gresh, Nohad