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. [electronic resource]
Producer: 20100924Description: 1101-12 p. digitalISSN:- 1549-960X
- Catalytic Domain
- Humans
- Hydrogen Bonding
- Molecular Dynamics Simulation
- Nitrogen -- chemistry
- Protein Binding
- Protein Kinase Inhibitors -- chemistry
- Proto-Oncogene Proteins B-raf -- antagonists & inhibitors
- Pyrazoles -- chemistry
- Structure-Activity Relationship
- Substrate Specificity
- Thermodynamics
- Water -- chemistry
No physical items for this record
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
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