Noe Frank
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Markov models of molecular kinetics: Generation and validation
JH Prinz, H Wu, M Sarich, B Keller, M Senne, M Held, JD Chodera, ...
The Journal of chemical physics 134, 174105, 2011
8532011
Constructing the equilibrium ensemble of folding pathways from short off-equilibrium simulations
F Noé, C Schütte, E Vanden-Eijnden, L Reich, TR Weikl
Proceedings of the National Academy of Sciences 106 (45), 19011, 2009
6782009
Identification of slow molecular order parameters for Markov model construction
G Pérez-Hernández, F Paul, T Giorgino, G De Fabritiis, F Noé
The Journal of chemical physics 139 (1), 07B604_1, 2013
5522013
Markov state models of biomolecular conformational dynamics
JD Chodera, F Noé
Current opinion in structural biology 25, 135-144, 2014
4802014
PyEMMA 2: A software package for estimation, validation, and analysis of Markov models
MK Scherer, B Trendelkamp-Schroer, F Paul, G Pérez-Hernández, ...
Journal of chemical theory and computation 11 (11), 5525-5542, 2015
4782015
Transition networks for modeling the kinetics of conformational change in macromolecules
F Noé, S Fischer
Current opinion in structural biology 18 (2), 154-162, 2008
4352008
Hierarchical analysis of conformational dynamics in biomolecules: Transition networks of metastable states
F Noé, I Horenko, C Schütte, JC Smith
The Journal of chemical physics 126, 155102, 2007
4032007
An introduction to Markov state models and their application to long timescale molecular simulation
GR Bowman, VS Pande, F Noé
Springer Science & Business Media, 2013
4022013
Spatiotemporal control of endocytosis by phosphatidylinositol-3, 4-bisphosphate
Y Posor, M Eichhorn-Gruenig, D Puchkov, J Schöneberg, A Ullrich, ...
Nature 499 (7457), 233-237, 2013
3442013
Major histocompatibility complex (MHC) class I and MHC class II proteins: conformational plasticity in antigen presentation
M Wieczorek, ET Abualrous, J Sticht, M Álvaro-Benito, S Stolzenberg, ...
Frontiers in immunology 8, 292, 2017
3242017
Crystal structure of nucleotide-free dynamin
K Faelber, Y Posor, S Gao, M Held, Y Roske, D Schulze, V Haucke, F Noé, ...
Nature, 2011
2952011
Protein conformational plasticity and complex ligand-binding kinetics explored by atomistic simulations and Markov models
N Plattner, F Noé
Nature communications 6 (1), 1-10, 2015
2682015
VAMPnets for deep learning of molecular kinetics
A Mardt, L Pasquali, H Wu, F Noé
Nature communications 9 (1), 1-11, 2018
2332018
HTMD: high-throughput molecular dynamics for molecular discovery
S Doerr, MJ Harvey, F Noé, G De Fabritiis
Journal of chemical theory and computation 12 (4), 1845-1852, 2016
2112016
Markov state models based on milestoning
C Schütte, F Noé, J Lu, M Sarich, E Vanden-Eijnden
The Journal of chemical physics 134, 204105, 2011
2092011
A variational approach to modeling slow processes in stochastic dynamical systems
F Noé, F Nuske
Multiscale Modeling & Simulation 11 (2), 635-655, 2013
2002013
Variational approach to molecular kinetics
F Nuske, BG Keller, G Pérez-Hernández, ASJS Mey, F Noé
Journal of chemical theory and computation 10 (4), 1739-1752, 2014
1992014
On the approximation quality of Markov state models
M Sarich, F Noé, C Schütte
Multiscale Modeling & Simulation 8, 1154, 2010
1902010
Complete protein–protein association kinetics in atomic detail revealed by molecular dynamics simulations and Markov modelling
N Plattner, S Doerr, G De Fabritiis, F Noé
Nature chemistry 9 (10), 1005, 2017
1822017
Boltzmann generators: Sampling equilibrium states of many-body systems with deep learning
F Noé, S Olsson, J Köhler, H Wu
Science 365 (6457), 2019
1722019
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