Author
Peter the Great St. Petersburg Polytechnic UniversityORCID 0009-0007-1431-0068Unclaimed ORCID profile · follow to get notified of new preprints
3 papers
Recent·Most cited
S. V. Gorelov, Andrey L. Konevega, Alexey V. Shvetsov
DSSNA v2026 analyzes nucleic acid structures in MD simulations, identifying base pairs, hydrogen bonds, and stacking interactions, showing that canonical pairs are stable while non-canonical ones are transient.
S. V. Gorelov, A. I. Titov, Olga A. Tolicheva…·Alexey V. Shvetsov
This paper introduces a new algorithm in Gromacs to determine hydrogen bonds in biomacromolecules, overcoming previous limitations and validating results with experimental data.
S. V. Gorelov, A. I. Titov, Olga A. Tolicheva…·Alexey V. Shvetsov
The paper introduces a fast implementation of the DSSP algorithm within Gromacs for analyzing protein secondary structures in molecular dynamics trajectories.