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Reweighted Autoencoded Variational Bayes for Enhanced Sampling (RAVE), , , и . (2018)cite arxiv:1802.03420.Computing committors via Mahalanobis diffusion maps with enhanced sampling data., , и . CoRR, (2022)From Metadynamics to Dynamics, и . Phys. Rev. Lett., 111 (23): 230602 (декабря 2013)Introducing dynamical constraints into representation learning., , , и . CoRR, (2022)Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention., , , и . J. Chem. Inf. Model., 64 (7): 2637-2644 (2024)Spectral gap optimization of order parameters for sampling complex molecular systems, и . Proceedings of the National academy of Sciences of the United States of America, 113 (11): 2839-2844 (2016)Enhanced sampling of Crystal Nucleation with Graph Representation Learnt Variables., и . CoRR, (2023)Kinetics of protein–ligand unbinding: Predicting pathways, rates, and rate-limiting steps, , , и . Proceedings of the National academy of Sciences of the United States of America, 112 (5): E386-E391 (2015)How and when does an anticancer drug leave its binding site?, , и . Science Advances, (2017)Unbinding kinetics of a p38 MAP kinase type II inhibitor from metadynamics simulations, , , , и . Journal of the American Chemical Society, (2017)PMID: 28290199.