Principal component analysis of molecular dynamics: On the use of Cartesian vs. internal coordinates F Sittel, A Jain, G Stock The Journal of Chemical Physics 141 (1), 2014 | 226 | 2014 |
Perspective: Identification of collective variables and metastable states of protein dynamics F Sittel, G Stock The Journal of chemical physics 149 (15), 2018 | 133 | 2018 |
Contact-and distance-based principal component analysis of protein dynamics M Ernst, F Sittel, G Stock The Journal of chemical physics 143 (24), 2015 | 101 | 2015 |
Robust density-based clustering to identify metastable conformational states of proteins F Sittel, G Stock Journal of chemical theory and computation 12 (5), 2426-2435, 2016 | 82 | 2016 |
Machine learning of biomolecular reaction coordinates S Brandt, F Sittel, M Ernst, G Stock The journal of physical chemistry letters 9 (9), 2144-2150, 2018 | 81 | 2018 |
Time-resolved observation of protein allosteric communication S Buchenberg, F Sittel, G Stock Proceedings of the National Academy of Sciences 114 (33), E6804-E6811, 2017 | 79 | 2017 |
Principal component analysis on a torus: Theory and application to protein dynamics F Sittel, T Filk, G Stock The Journal of chemical physics 147 (24), 2017 | 62 | 2017 |
MELD-path efficiently computes conformational transitions, including multiple and diverse paths A Perez, F Sittel, G Stock, K Dill Journal of chemical theory and computation 14 (4), 2109-2116, 2018 | 16 | 2018 |
Computing velocities and accelerations from a pose time sequence in three-dimensional space F Sittel, J Müller, W Burgard Computing-Velocities-and-Accelerations-from-a-Pose-Sittel-M, 2013 | 5 | 2013 |