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

Molecular Dynamics, Engineering, Natural Sciences +14

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

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 · 840 citations · Full text

Dynamic Equilibrium, Equilibrium Ensemble, Molecular Biology +16

Identification of slow molecular order parameters for Markov model construction

Guillermo Pérez‐Hernández, Fabian Paul, Toni Giorgino et al. · 2013 · 720 citations

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

Frank Noé, Simon Olsson, Jonas Köhler et al. · Science · 2019 · 706 citations

Engineering, Machine Learning, Equilibrium States +16