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Aqemia: Drug Discovery using Physics and AI

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If you have a question about this talk, please contact Alexander R Epstein .

Aqemia is a tech bio company leveraging physics-based computational methods and machine learning to scale drug discovery. In this talk, we will present the different stages of drug discovery and their challenges, and how computational methods can speed up new drug candidates invention. We will show in particular how we aim at leveraging molecular density functional theory to estimate protein-ligand binding free energies orders of magnitude faster than state-of-the-art free energy perturbation methods.

This talk is part of the Lennard-Jones Centre series.

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Average on weekdays: 9025.60144928 kWh Latimer Room, Old Court, Clare College, Department of Applied Mathematics and Theoretical Physics

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