In this talk, we present some recent advances on a variational implicit-solvent model (VISM) and its applications in drug design. We first review the VISM and corresponding level-set minimization methods. Thanks to the advantages of the level-set method, the VISM is able to identify binding sites on a protein surface and predict the druggability of binding sites with local geometric and physicochemical information calculated by the VISM level-set methods. In addition, the VISM can calculate the binding affinity of a ligand to a binding site, and provide with individual contributions from interfacial energy, Lennard-Jones interactions, and electrostatics. In the end, we will present some recent results on the binding/unbinding kinetics of a ligand to a hydrophobic receptor pocket.

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