TY  - GEN
AU  - Alzate-Morales,Jans H
AU  - Vergara-Jaque,Ariela
AU  - Caballero,Julio
TI  - Computational study on the interaction of N1 substituted pyrazole derivatives with B-raf kinase: an unusual water wire hydrogen-bond network and novel interactions at the entrance of the active site
SN  - 1549-960X
PY  - 2010///0924
KW  - Catalytic Domain
KW  - Humans
KW  - Hydrogen Bonding
KW  - Molecular Dynamics Simulation
KW  - Nitrogen
KW  - chemistry
KW  - Protein Binding
KW  - Protein Kinase Inhibitors
KW  - Proto-Oncogene Proteins B-raf
KW  - antagonists & inhibitors
KW  - Pyrazoles
KW  - Structure-Activity Relationship
KW  - Substrate Specificity
KW  - Thermodynamics
KW  - Water
N1  - Publication Type: Journal Article; Research Support, Non-U.S. Gov't
UR  - https://doi.org/10.1021/ci100049h
ER  -