| 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 | 841 | 2011 |
| 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 | 669 | 2009 |
| 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 | 540 | 2013 |
| Markov state models of biomolecular conformational dynamics JD Chodera, F Noé Current opinion in structural biology 25, 135-144, 2014 | 473 | 2014 |
| 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 | 459 | 2015 |
| 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 | 433 | 2008 |
| 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 | 402 | 2007 |
| 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 | 394 | 2013 |
| 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 | 338 | 2013 |
| 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 | 309 | 2017 |
| Crystal structure of nucleotide-free dynamin K Faelber, Y Posor, S Gao, M Held, Y Roske, D Schulze, V Haucke, F Noé, ... Nature, 2011 | 297 | 2011 |
| 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 | 265 | 2015 |
| VAMPnets for deep learning of molecular kinetics A Mardt, L Pasquali, H Wu, F Noé Nature communications 9 (1), 1-11, 2018 | 227 | 2018 |
| 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 | 204 | 2016 |
| 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 | 204 | 2011 |
| A variational approach to modeling slow processes in stochastic dynamical systems F Noé, F Nuske Multiscale Modeling & Simulation 11 (2), 635-655, 2013 | 196 | 2013 |
| 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 | 195 | 2014 |
| On the approximation quality of Markov state models M Sarich, F Noé, C Schütte Multiscale Modeling & Simulation 8, 1154, 2010 | 187 | 2010 |
| 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 | 177 | 2017 |
| Time-lagged autoencoders: Deep learning of slow collective variables for molecular kinetics C Wehmeyer, F Noé The Journal of chemical physics 148 (24), 241703, 2018 | 168 | 2018 |
Jan-Hendrik PrinzMemorial Sloan Kettering Cancer CenterVerified email at choderalab.org
