Novel Structural Features of CDK Inhibition Revealed by an ab Initio Computational MethodCombined with Dynamic Simulations
The rational development of specific inhibitors for the ~500 protein kinases encoded in the human genome is impeded by a poor understanding of the structural basis for the activity and selectivity of small molecules that compete for ATP binding. Combining classical dynamic simulations with a novel a...
| Main Authors: | , , , , , , , , |
|---|---|
| Format: | Journal Article |
| Published: |
ACS Publications
2006
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| Subjects: | |
| Online Access: | http://pubs.acs.org/journals/jmcmar/index.html http://hdl.handle.net/20.500.11937/30852 |
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