most citedIon Binding Sites and their Representations by Quasichemical Reduced Models

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physics.comp-ph2024

Iterative variational learning of committor-consistent transition pathways using artificial neural networks

Alberto Megías, Sergio Contreras Arredondo, Cheng Giuseppe Chen +3

This contribution introduces a neural-network-based approach to discover meaningful transition pathways underlying complex biomolecular transformations in coherence with the commit…