Investigation of the differences in activity between hydroxycycloalkyl N1 substituted pyrazole derivatives as inhibitors of B-Raf kinase by using docking, molecular dynamics, QM/MM, and fragment-based de novo design: study of binding mode of diastereomer

Caballero, Julio; Alzate-Morales, Jans H; Vergara-Jaque, Ariela

Más información

Título de la Revista: Journal of chemical information and modeling
Volumen: 51
Asunto: 11
Fecha de publicación: 2011
Página de inicio: 31
Página final: 2920
DOI/URL:

10.1021/ci200306w