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Markov state models of biomolecular conformational dynamicsVariational Koopman models: Slow collective variables and molecular kinetics from short off-equilibrium simulations.Estimation and uncertainty of reversible Markov models.Projected metastable Markov processes and their estimation with observable operator models.Nanoscopic compartmentalization of membrane protein motion at the axon initial segmentProtein-peptide association kinetics beyond the seconds timescale from atomistic simulationsVAMPnets for deep learning of molecular kinetics.Particle-based membrane model for mesoscopic simulation of cellular dynamics.A scalable approach to the computation of invariant measures for high-dimensional Markovian systems.An efficient multi-scale Green's function reaction dynamics scheme.Complete protein-protein association kinetics in atomic detail revealed by molecular dynamics simulations and Markov modelling.Variational tensor approach for approximating the rare-event kinetics of macromolecular systems.Author Correction: Protein-peptide association kinetics beyond the seconds timescale from atomistic simulations.Author Correction: VAMPnets for deep learning of molecular kineticsLearning continuous and data-driven molecular descriptors by translating equivalent chemical representationsReaDDy 2: Fast and flexible software framework for interacting-particle reaction dynamicsMSM/RD: Coupling Markov state models of molecular kinetics with reaction-diffusion simulationsTime-lagged autoencoders: Deep learning of slow collective variables for molecular kineticsThe mechanism of RNA base fraying: Molecular dynamics simulations analyzed with core-set Markov state modelsGrand canonical diffusion-influenced reactions: A stochastic theory with applications to multiscale reaction-diffusion simulationsCollective hydrogen-bond rearrangement dynamics in liquid waterDiffusion-influenced reaction rates in the presence of pair interactionsReactive SINDy: Discovering governing reactions from concentration dataMarkov Models of Molecular KineticsIdentification of kinetic order parameters for non-equilibrium dynamicsNanoscale coupling of endocytic pit growth and stabilityEfficient multi-objective molecular optimization in a continuous latent spaceVariational selection of features for molecular kineticsKernel methods for detecting coherent structures in dynamical dataBoltzmann generators: Sampling equilibrium states of many-body systems with deep learningSingle event visualization of unconventional secretion of FGF2Large-scale simulation of biomembranes incorporating realistic kinetics into coarse-grained models
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description
researcher
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wetenschapper
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հետազոտող
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name
Frank Noé
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Frank Noé
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Frank Noé
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Frank Noé
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Frank Noé
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Frank Noé
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Frank Noé
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Frank Noe
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Frank Noé
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Frank Noé
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Frank Noé
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Frank Noé
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P106
P21
P31
P496
0000-0003-4169-9324