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
Crossref DOI link: https://doi.org/10.1007/s00894-014-2472-5
Published Online: 2014-11-01
Published Print: 2014-11
Update policy: https://doi.org/10.1007/springer_crossmark_policy
Goldwaser, Elodie
de Courcy, Benoit
Demange, Luc
Garbay, Christiane
Raynaud, Françoise
Hadj-Slimane, Reda
Piquemal, Jean-Philip
Gresh, Nohad
Text and Data Mining valid from 2014-11-01