Popov Lab

The Popov Lab develops inventive, cutting-edge approaches to solve problems in modern computational structural biology and drug discovery. Their computational research, in collaboration with experimental screening and medicinal chemistry efforts in the Center for Integrative Chemical Biology and Drug Discovery enables the identification of novel chemical probes and drug candidates to advance understanding of biological processes. Some of their recent projects include:

• Identification and characterization of allosteric and cryptic binding sites
• Development of AI-driven methods for accelerated virtual screening (VS)
• AI approaches for DNA-encoded library (DEL)-guided virtual screening (VS) and new-generation DEL library designs
• Collaborative hit discovery and optimization projects