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Konstantin Popov

Konstantin Popov, Ph. D.

Associate Professor, Division of Chemical Biology and Medicinal Chemistry

Director, Computation Biophysics, Center for Integrative Chemical Biology and Drug Discovery

Konstantin Popov

3205 Marsico Hall, 125 Mason Farm Road, CB# 7363, Chapel Hill, NC, 27599-7363


Konstantin Popov comes to the UNC Eshelman School of Pharmacy from a Research Assistant Professor position in the Department of Biochemistry and Biophysics at UNC. His research expertise is at the interface of computational and structure-guided chemical probe and drug discovery, which is a vital part of the mission of the CICBDD.

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