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
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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 |