A review summarizing AI techniques for protein conformation generation, trajectory modeling, Boltzmann generators, machine learning potentials, and related challenges in scalability and physical consistency.
Enhanced sampling, public dataset and generative model for drug-protein dissociation dynamics
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Learning Structure, Energy, and Dynamics: A Survey of Artificial Intelligence for Protein Dynamics
A review summarizing AI techniques for protein conformation generation, trajectory modeling, Boltzmann generators, machine learning potentials, and related challenges in scalability and physical consistency.