Author

J. Aduriz-Arrizabalaga

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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 Approach:statistical model· 1

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D. De Sancho· 1 shared X. Lopez· 1 shared

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2023-2023 · peak 1/yr

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1 shared paperBiophysics

D. De Sancho

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1 paper

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BiophysicsbioRxivMar 23, 2023

Atomistic molecular simulations of Aβ-Zn conformational ensembles

J. Aduriz-Arrizabalaga, X. Lopez, D. De Sancho

This study generates accurate force fields for Aβ-Zn complexes using molecular dynamics and Bayesian optimization, revealing more heterogeneous conformational ensembles than existing NMR models.

DOI 10.1002/prot.26590

protein structurestatistical model

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