Structural biology and pharmacology: computational and experimental approaches


Section “From biologically active substances to pharmaceutical products. The role of synchrotron radiation and advanced instrumental techniques”
Sergey Arkhipov, Novosibirsk State University, Novosibirsk; Synchrotron Radiation Facility SKIF, Koltsovo, Russia
Yan Zubavichus, Boreskov Institute of Catalysis of SB RAS, Novosibirsk; Synchrotron Radiation Facility SKIF, Koltsovo
Elena Boldyreva, Boreskov Institute of Catalysis of SB RAS; Novosibirsk State University, Novosibirsk, Russia
Anastasiya Bakulina, Novosibirsk State University, Novosibirsk, Russia
Section “Structural biology of proteins and membranes”
Roman Efremov, Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry, Moscow, Russia
Yulia Dyakova

NRC “Kurchatov Institute”, Moscow, Russia

Section “Chemoinformatics and chemical biology”
Vladimir Poroikov, Institute of Biomedical Chemistry, Moscow, Russia


  • Genomic and postgenomic approaches in drug discovery Disease interactome
  • Repurposing of the existing drugs
  • Pathway analysis and personalized medicine
  • Molecular modeling in drug design & discovery
  • Chemoinformatics and chemical biology


The section “Structural Biology of Proteins and Membranes” brings together the works of leading Russian and international teams devoted to the atomistic study of the structural organization and dynamic behavior of cell membranes. In this case, membrane/membrane-active proteins and peptides, lipid bilayer molecules, as well as their complexes are considered. Special attention is paid to the analysis of the most complex networks of molecular interactions between all components of these mesoscopic systems. A rich arsenal of modern experimental and computational methods is presented, including: X-ray, cryo-EM, NMR spectroscopy, small-angle X-ray scattering, electrochemical measurements, neutron scattering, molecular dynamics, structural bioinformatics, etc. The research results reveal new interesting relationships between the structure and dynamics of biological membranes and their functioning, allow deciphering the molecular mechanisms of a number of vital processes in the cell. These data form the fundamental basis for the rational design of new classes of drugs and therapies to combat socially significant diseases.