Author

N. A. Simakov

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

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Biophysics· 1

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Research Focus:protein folding & dynamics· 1 Approach:simulation· 1

Frequent Co-Authors

J. C. Flores-Canales· 1 shared M. G. Kurnikova· 1 shared

Activity by Year

2019-2019 · peak 1/yr

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2 top collaborators · 1 mutual co-author link

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1 shared paperBiophysics

J. C. Flores-Canales

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1 paper

Recent·Most cited

Microsecond Molecular Dynamics Simulations of Diphtheria Toxin Translocation T-Domain pH-Dependent Unfolding in Solution

J. C. Flores-Canales, N. A. Simakov, M. G. Kurnikova

This study uses molecular dynamics simulations to investigate pH-dependent unfolding of the diphtheria toxin T-domain, revealing protonation-induced structural changes that may facilitate membrane binding.

bioRxiv · Mar 8, 2019 · PreprintBiophysics