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  1. Molecular modeling
Skvortsov, Vladlen Stanislavovich
Vladlen Skvortsov 🥼
Head of Laboratory

Research directions

Prediction of compound activity by molecular modeling and QSAR methods

Objects: influenza virus neuraminidase, SARS-CoV-2 major protease, M1-M5 muscarinic acetylcholine receptors, nuclear receptors. Main steps: data collection, modeling of the complex set, molecular dynamics simulation, calculation of energetic parameters using MMPBSA/MMGBSA, calculation of physicochemical properties of ligands, creation of target prediction equations using linear regression or neural networks.

Lab address

г. Москва, Погодинская ул., 10, стр. 8
Authorization required.