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R. J. S. Loureiro

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Biophysics· 1

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Approach:mechanistic / dynamical model· 1 Research Focus:protein folding & dynamics· 1 Assay:protein structure· 1

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F. E. P. Rodrigues· 1 shared J. N. M. Vitorino· 1 shared M. Machuqueiro· 1 shared N. F. B. Oliveira· 1 shared P. F. Faisca· 1 shared

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F. E. P. Rodrigues

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BiophysicsbioRxivJul 14, 2021

Predicting stable binding modes from simulated dimers of the D76N mutant of β2-microglobulin

N. F. B. Oliveira, F. E. P. Rodrigues, J. N. M. Vitorino…·M. Machuqueiro

This paper uses molecular dynamics simulations and MM-PBSA calculations to analyze dimer stability of the D76N β2m mutant, finding hydrophobic interactions and terminal regions drive interface stability.

DOI 10.1016/j.csbj.2021.09.003

protein structuremechanistic / dynamical model

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