Binding selectivity-dependent molecular mechanism of inhibitors towards CDK2 and CDK6 investigated by multiple short molecular dynamics and free energy landscapes
Understanding selectivity-dependent molecular mechanism of inhibitors towards CDK2 over CDK6 is prominent for improving drug design towards the CDK family. Multiple short molecular dynamics (MD) simulations combined with MM-GBSA approach are adopted to investigate molecular mechanism on binding sele...
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| Main Authors: | , , , , , |
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| Format: | Book |
| Published: |
Taylor & Francis Group,
2023-12-01T00:00:00Z.
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| Online Access: | Connect to this object online. |
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