Although the brain is not perfectly symmetrical with respect to the mid-sagittal plane, the
automatic detection of this plane and of the degree of symmetry is of interest for many …

… Andrianov and Alexander V. Tuzikov developed the virtual screening pipeline, planned
and supervised the computational studies. Konstantin V. Furs and Anna …

A generative adversarial autoencoder for the rational design of potential HIV-1 entry inhibitors
able to block CD4-binding site of the viral envelope protein gp120 was developed. To do …

A computational approach to in silico drug discovery was carried out to identify small drug-like
compounds able to show structural and functional mimicry of the high affinity ligand X77, …

Structure fluctuations and conformational changes accompany all biological processes
involving macromolecules. The paper presents a classification of protein residues based on the …

Over the past three years, significant progress has been made in the development of novel
promising drug candidates against COVID-19. However, SARS-CoV-2 mutations resulting in …

Structural characterization of protein‐protein interactions is important for understanding life
processes. Because of the inherent limitations of experimental techniques, such …

Detection of the best symmetry plane in 3D images can be treated as a registration problem
between the original and the reflected images. The registration is performed in a 3D space …

Conformational changes upon protein–protein association are the key element of the binding
mechanism. The study presents a systematic large-scale analysis of such conformational …

ABSTRACT Characterization of life processes at the molecular level requires structural details
of protein–protein interactions (PPIs). The number of experimentally determined protein …