This talk will discuss the energy landscape of docking small molecules to protein kinases and how the energy landscape can help to select receptor structures for virtual screening.  It will also discuss the energy landscapes of the binding/unbinding of drug candidates to/from protein kinases and how these energy landscapes influence binding/unbinding kinetics.<br/>

Energy landscape of protein-ligand binding/unbinding in protein kinases

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.