The simulation of the kinetics and thermodynamics of ligand-protein binding and unbinding will be discussed in the context of recent progress of molecular dynamics based enhanced sampling methods.

<b>Award Address </b>(Peter Debye Award in Physical Chemistry sponsored by DuPont). Enhanced sampling for thermodynamics and kinetics of ligand-protein binding and unbinding

253rd National Meeting (2017)

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

Award Address (Peter Debye Award in Physical Chemistry sponsored by DuPont). Enhanced sampling for thermodynamics and kinetics of ligand-protein binding and unbinding