Petr Popov

Petr Popov is an Assistant Professor at the Skoltech Center for Molecular and Cellular Biology. His research focuses on applying machine learning and computational methods to solve critical problems in structural bioinformatics, chemoinformatics, and GPCR (G protein-coupled receptor) signaling mechanisms.

• Core Research Areas:
  • Machine learning for molecular property prediction
  • Computational biomolecular modeling and design
  • Computer-aided drug discovery
  • Mechanistic analysis of biased signaling in opioid receptors

Recent Publications (2023–2022): His articles investigate the structural basis of signaling bias in kappa opioid receptors (KOR), including crystal structures of KOR-nalfurafine complexes and molecular dynamics simulations of GPCR transducer coupling. Topics span ligand-specific conformations, arrestin/G protein selectivity, and computational modeling of receptor dynamics.

Methodologies: Utilizes atomic-level MD simulations, mutagenesis validation, and structure determination to analyze receptor-ligand interactions. Keywords include structural biology, computational pharmacology, and neuroreceptor engineering.