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Sofiya B. Bettencourt

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#protein folding Open access Sep 2026

Time‐Dependent Voronoi Analysis of Amino Acid Side‐Chain Packing in Simulations

The Voro++ library is adopted to investigate time-dependent amino acid packing in molecular dynamics trajectories of a titin immunoglobulin domain at 300 and 400 K and detect delicate changes preceding protein conformational transition or unfolding, and analyzing protein-protein interface reorganization or surface hydr...

Sofiya B. Bettencourt, Wonmuk Hwang · 0 citations

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