Modeling protein conformational ensembles by guiding AlphaFold2 with Double Electron Electron Resonance (DEER) distance distributions

Abstract We describe a modified version of AlphaFold2 that incorporates experimental distance distributions into the network architecture for protein structure prediction. Harnessing the OpenFold platform, we fine-tune AlphaFold2 on structurally dissimilar proteins to explicitly model distance distr...

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Bibliographic Details
Main Authors: Tianqi Wu, Richard A. Stein, Te-Yu Kao, Benjamin Brown, Hassane S. Mchaourab
Format: Article
Language:English
Published: Nature Portfolio 2025-08-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-025-62582-4
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