Frank Noé

Markov models of molecular kinetics: Generation and validation

Jan-Hendrik Prinz, Hao Wu, Marco Sarich et al. · The Journal of Chemical Physics · 2011 · 1.3K citations · Full text

Natural Sciences, Chemistry, Physics +15

PyEMMA 2: A Software Package for Estimation, Validation, and Analysis of Markov Models

Martin K. Scherer, Benjamin Trendelkamp-Schroer, Fabian Paul et al. · Journal of Chemical Theory and Computation · 2015 · 1.3K citations

Natural Sciences, Biophysics, Chemistry +15

Constructing the equilibrium ensemble of folding pathways from short off-equilibrium simulations

Frank Noé, Christof Schütte, Eric Vanden‐Eijnden et al. · Proceedings of the National Academy of Sciences · 2009 · 851 citations · Full text

Natural Sciences, Biochemistry, Biophysics +17

Boltzmann generators: Sampling equilibrium states of many-body systems with deep learning

Frank Noé, Simon Olsson, Jonas Köhler et al. · Science · 2019 · 751 citations

Natural Sciences, Chemistry, Physics +16

VAMPnets for deep learning of molecular kinetics

Andreas Mardt, Luca Pasquali, Hao Wu et al. · RePEc: Research Papers in Economics · 2018 · 527 citations · Full text

Natural Sciences, Biophysics, Biomolecular Modeling +14