Biophysics Seminar- “Prairie State College” with Jianing Li
Biophysics Seminar
May 3, 2024
2:00 PM - 3:00 PM
Location
SES 2214
Calendar
Download iCal FileSynergy of Multiscale Modeling and AI/ML Techniques for Drug Design
Jianing Li
Associate Professor of Medicinal Chemistry and Molecular Pharmacology
Purdue University
I will introduce two examples of small-molecule and peptide drug design. In the first example, over 1010 chemical compounds are generated by our ChemHopper platform and selected by AI/ML tools and new molecular docking techniques. I will show the application of this methodology to seek small molecules to target a G protein-coupled receptor for chronic stress and pain management. In the second example, I will introduce AMPGAN, a generative AI model to design novel antimicrobial peptides to fight antibiotic resistance. This example illustrates how multiscale modeling helps select AI-designed molecules for experimental validation.
Date posted
Apr 24, 2024
Date updated
Apr 24, 2024