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.

This study investigates how an amyloidogenic peptide binds to DNA, showing its structural interactions and effects on DNA function.

This paper introduces a new algorithm in Gromacs to determine hydrogen bonds in biomacromolecules, overcoming previous limitations and validating results with experimental data.

The paper introduces a fast implementation of the DSSP algorithm within Gromacs for analyzing protein secondary structures in molecular dynamics trajectories.

This study improves the thermostability of Aspergillus awamori glucoamylase through directed evolution and identifies key mutations that enhance or reduce thermal stability.