Logo

Advancing Drug Discovery via Accurate and Reliable Protein-Ligand Binding Free Energy Calculations

Speaker

Lingle Wang, Columbia University, NY

Time

2020.12.29 09:00-10:00

Venue

Online--ZOOM APP

ZOOM Info

ZOOM LINK
Conference ID: 676-324-12310
Password: 185519

Abstract

Drug discovery is a very expensive and time-consuming process, with the average cost to bring a drug molecule into the market reaching $2.5B in 2016. Computational modeling can significantly accelerate the preclinical discovery process and reduce the cost. In this talk, I am going to start with a review of the challenges of preclinical drug discovery, discuss the FEP+ method for accurate and reliable protein-ligand binding free energy calculations to address these challenges, and present a few real-life drug discovery projects to demonstrate how these computational models were able to impact the discovery process.