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 Compounds

Caballero, J; Alzate-Morales J.H.; Vergara-Jaque, A

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Título según WOS: 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 Compounds
Título según SCOPUS: 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 compounds
Título de la Revista: JOURNAL OF CHEMICAL INFORMATION AND MODELING
Volumen: 51
Número: 11
Editorial: American Chemical Society
Fecha de publicación: 2011
Página de inicio: 2920
Página final: 2931
Idioma: English
URL: http://www.scopus.com/inward/record.url?eid=2-s2.0-82355160719&partnerID=q2rCbXpz
DOI:

10.1021/ci200306w

Notas: ISI, SCOPUS