Author

A. I. Titov

Kurchatov InstituteORCID 0000-0002-0713-2992Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Bioinformatics· 2

Signature Assays, Organisms & Methods

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Approach:experimental assay· 2 Assay:protein structure· 1 Research Focus:protein structure prediction· 1

Frequent Co-Authors

Alexey V. ShvetsoviD· 2 shared Andrey L. KonevegaiD· 2 shared Olga A. TolichevaiD· 2 shared S. V. GoreloviD· 2 shared

Activity by Year

2024-2024 · peak 2/yr

Co-Author Collaboration Network

4 top collaborators · 6 mutual co-author links

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2 shared papersBioinformatics

Alexey V. ShvetsovORCID

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2 papers

Recent·Most cited

Determination of hydrogen bonds in Gromacs: new implementation to overcome the limitation

S. V. Gorelov, A. I. Titov, Olga A. Tolicheva, Andrey L. Konevega, 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.

Journal of Chemical Information and Modeling · Aug 9, 2024Peer-reviewedBioinformatics

DSSP in Gromacs: tool for defining secondary structures of proteins in trajectories

S. V. Gorelov, A. I. Titov, Olga A. Tolicheva, Andrey L. Konevega, Alexey V. Shvetsov

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

Journal of Chemical Information and Modeling · Apr 24, 2024Peer-reviewedBioinformatics