Author

Nikolay A. Simakov

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Biophysics· 1

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

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Jose C. Flores-CanalesiD· 1 shared Maria KurnikovaiD· 1 shared

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2019-2019 · peak 1/yr

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1 shared paperBiophysics

Jose C. Flores-CanalesORCID

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BiophysicsbioRxivPreprintMar 8, 2019

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

Jose C. Flores-Canales, Nikolay A. Simakov, Maria 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.

DOI 10.1101/572040

simulationprotein folding & dynamics

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