Author

S. Grudinin

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

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Biophysics· 3 Biochemistry· 1

Signature Assays, Organisms & Methods

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Approach:deep learning· 2 Approach:experimental assay· 2 Research Focus:protein folding & dynamics· 2 Approach:statistical model· 2 Research Focus:chromatin & epigenetic regulation· 1 Organism:human· 1 Assay:protein structure· 1 Assay:structural biology· 1

Frequent Co-Authors

A. Gilep· 1 shared A. Gusach· 1 shared A. H. Larsen· 1 shared A. Kalantzi· 1 shared A. Kavaleuski· 1 shared B. Fierz· 1 shared D. Demurtas· 1 shared D. Trono· 1 shared

Activity by Year

2019-2022 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 12 mutual co-author links

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1 shared paperBiochemistry

A. Gilep

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Author profile →

4 papers

Recent·Most cited

Docking-based long timescale simulation of cell-size protein systems at atomic resolution

I. A. Vakser, S. Grudinin, N. W. Jenkins, P. J. Kundrotas, E. J. Deeds

This study combines protein docking and Monte Carlo simulations to achieve long-timescale atomic-resolution simulations of cell-sized protein systems.

bioRxiv · Jun 7, 2022 · PreprintBiophysics

Hydroxylation of antitubercular drug candidate, SQ109, by mycobacterial cytochrome P450

S. Bukhdruker, T. Varaksa, I. Grabovec, E. Marin, P. Shabunya, M. Kadukova, S. Grudinin, A. Kavaleuski, A. Gusach, A. Gilep, V. Borshchevskiy, N. Strushkevich

The paper shows that Mycobacterium tuberculosis CYP124 hydroxylates SQ109, a drug candidate, and potentially affects its interaction with MmpL3.

bioRxiv · Aug 27, 2020Biochemistry

Combining molecular dynamics simulations with small-angle X-ray and neutron scattering data to study multi-domain proteins in solution

A. H. Larsen, Y. Wang, S. Bottaro, S. Grudinin, L. Arleth, K. Lindorff-Larsen

The paper combines molecular dynamics simulations with small-angle scattering data to study multi-domain proteins, showing how refining simulations against SAXS data improves agreement with experiments.

bioRxiv · Dec 26, 2019Biophysics

KAP1 is an antiparallel dimer with a natively functional asymmetry

G. Fonti, M. Marcaida, L. Bryan, S. Traeger, A. Kalantzi, P.-Y. Helleboid, D. Demurtas, M. Tully, S. Grudinin, D. Trono, B. Fierz, M. Dal Peraro

This paper shows KAP1 forms an antiparallel dimer with a native asymmetry, which affects its SUMOylation and interaction with HP1.

bioRxiv · Feb 19, 2019Biophysics