Inferring protein allostery from molecular simulations using Deep Learning

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Authors: M. Marfoglia, Miguel A. Pedraza-Joya, Lucas Guirardel, Aysima Hacisuleyman, Barth, Patrick
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Abstract

Data to reproduce figures in the main text of "Modelling Protein Conformational Dynamics using Deep Learning"

Fields of Study & Subjects

Protein Structure and Dynamics Computational Drug Discovery Methods Receptor Mechanisms and Signaling

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
12 February 2026
Language
EN