AlloPool is a deep learning framework that infers protein allostery from molecular dynamics simulations
Recent advances in artificial intelligence have transformed protein structure prediction and design. However, protein function is governed not only by static structures but also by the conformational dynamics that allow proteins to access distinct functional states. Predicting these dynamic transitions, central to many...
M. Marfoglia, Miguel A. Pedraza-Joya, L. Guirardel et al.
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