| 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 (17), 2011 | 1280 | 2011 |
| 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 | 311 | 2014 |
| Comparing geometric and kinetic cluster algorithms for molecular simulation data B Keller, X Daura, WF Van Gunsteren The Journal of chemical physics 132 (7), 2010 | 146 | 2010 |
| Probing molecular kinetics with Markov models: metastable states, transition pathways and spectroscopic observables JH Prinz, B Keller, F Noé Physical Chemistry Chemical Physics 13 (38), 16912-16927, 2011 | 125 | 2011 |
| Kinetic models of cyclosporin A in polar and apolar environments reveal multiple congruent conformational states J Witek, BG Keller, M Blatter, A Meissner, T Wagner, S Riniker Journal of chemical information and modeling 56 (8), 1547-1562, 2016 | 114 | 2016 |
| Complex RNA folding kinetics revealed by single-molecule FRET and hidden Markov models BG Keller, A Kobitski, A Jäschke, GU Nienhaus, F Noé Journal of the American Chemical Society 136 (12), 4534-4543, 2014 | 103 | 2014 |
| Dynamic properties of force fields F Vitalini, ASJS Mey, F Noé, BG Keller The Journal of Chemical Physics 142 (8), 2015 | 93 | 2015 |
| Density-based cluster algorithms for the identification of core sets O Lemke, BG Keller The Journal of chemical physics 145 (16), 2016 | 73 | 2016 |
| Markov models and dynamical fingerprints: Unraveling the complexity of molecular kinetics BG Keller, JH Prinz, F Noé Chemical Physics 396, 92-107, 2012 | 67 | 2012 |
| Computational close up on protein–protein interactions: how to unravel the invisible using molecular dynamics simulations? C Rakers, M Bermudez, BG Keller, J Mortier, G Wolber Wiley Interdisciplinary Reviews: Computational Molecular Science 5 (5), 345-359, 2015 | 66 | 2015 |
| Rationalization of the membrane permeability differences in a series of analogue cyclic decapeptides J Witek, S Wang, B Schroeder, R Lingwood, A Dounas, HJ Roth, ... Journal of chemical information and modeling 59 (1), 294-308, 2018 | 62 | 2018 |
| Interconversion rates between conformational states as rationale for the membrane permeability of cyclosporines J Witek, M Mühlbauer, BG Keller, M Blatter, A Meissner, T Wagner, ... ChemPhysChem 18 (23), 3309-3314, 2017 | 61 | 2017 |
| Girsanov reweighting for metadynamics simulations L Donati, BG Keller The Journal of chemical physics 149 (7), 2018 | 59 | 2018 |
| Girsanov reweighting for path ensembles and Markov state models L Donati, C Hartmann, BG Keller The Journal of chemical physics 146 (24), 2017 | 52 | 2017 |
| Single-molecule FRET reveals the energy landscape of the full-length SAM-I riboswitch C Manz, AY Kobitski, A Samanta, BG Keller, A Jäschke, GU Nienhaus Nature chemical biology 13 (11), 1172-1178, 2017 | 51 | 2017 |
| Intradomain allosteric network modulates calcium affinity of the C-type lectin receptor langerin J Hanske, S Aleksić, M Ballaschk, M Jurk, E Shanina, M Beerbaum, ... Journal of the American Chemical Society 138 (37), 12176-12186, 2016 | 44 | 2016 |
| Broad substrate tolerance of tubulin tyrosine ligase enables one-step site-specific enzymatic protein labeling D Schumacher, O Lemke, J Helma, L Gerszonowicz, V Waller, T Stoschek, ... Chemical science 8 (5), 3471-3478, 2017 | 43 | 2017 |
| A basis set for peptides for the variational approach to conformational kinetics F Vitalini, F Noé, BG Keller Journal of chemical theory and computation 11 (9), 3992-4004, 2015 | 38 | 2015 |
| An analysis of the validity of Markov state models for emulating the dynamics of classical molecular systems and ensembles B Keller, P Hunenberger, WF van Gunsteren Journal of Chemical Theory and Computation 7 (4), 1032-1044, 2011 | 37 | 2011 |
| Estimation of the infinitesimal generator by square-root approximation L Donati, M Heida, BG Keller, M Weber Journal of Physics: Condensed Matter 30 (42), 425201, 2018 | 31 | 2018 |
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