Article
JOURNAL OF CHEMICAL INFORMATION AND MODELING  (2011)

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, J; Alzate-Morales, JH; Vergara-Jaque, A

Keywords: prediction, conformational stability, drug discovery, in-silico, comfa, comsia, cdk2 inhibitors, 2d autocorrelation, guanine derivatives, oniom