Talk Series #6 - Revolutionising Drug Discovery Through In Silico Design

Talk Series on Emerging Technologies — Science, Opportunities and Challenges #6
Topic: Revolutionising Drug Discovery Through In-Silico Design
Date: 27 March 2021

Introduction:
The main goal in drug discovery is to identify and develop chemical molecules that can tightly but selectively bind to target protein receptors to inhibit their functions. Therefore, accurate predictions of “tightness” (free energies) and “pose” (orientation of binding) of protein-ligand binding is of central importance for in-silico drug design aided by computers. “In-silico” drug design refers to the use of sophisticated computer modeling and recently Artificially Intelligence (AI) techniques, which greatly reduces the need for expensive lab testing. In this talk, we will discuss how recent breakthroughs in computational approaches particularly AI-driven techniques that revolutionizes the drug discovery processes.

The Speakers:
Prof Xuhui HUANG, Professor, Department of Chemistry, The Hong Kong University of Science and Technology
Prof Hongzhe SUN, Professor, Department of Chemistry, The University of Hong Kong