-
CommonNNClustering─A Python Package for Generic Common-Nearest-Neighbor Clustering,
J. O. Kapp-Joswig, B. G. Keller,
Journal of Chemical Information and Modeling
2023,
63,
1093–1098,
10.1021/acs.jcim.2c01493
-
GROMACS Stochastic Dynamics and BAOAB Are Equivalent Configurational Sampling Algorithms,
S. Kieninger, B. G. Keller,
Journal of Chemical Theory and Computation
2022,
18,
5792–5798,
10.1021/acs.jctc.2c00585
-
Stable Isotopomers of Inositol Uncover a Complex MINPP1-Dependent Inositol Phosphate Network,
M. Nguyen Trung, S. Kieninger, Z. Fandi, D. Qiu, G. Liu, N. K. Mehendale, A. Saiardi, H. Jessen, B. Keller, D. Fiedler,
ACS Central Science
2022,
8,
1683–1694,
10.1021/acscentsci.2c01032
-
Path probability ratios for Langevin dynamics—Exact and approximate,
S. Kieninger, B. G. Keller,
The Journal of Chemical Physics
2021,
154,
94102–0,
10.1063/5.0038408
-
Markov models from the square root approximation of the Fokker–Planck equation: calculating the grid-dependent flux,
L. Donati, M. Weber, B. G. Keller,
Journal of Physics: Condensed Matter
2021,
33,
115902–0,
10.1088/1361-648X/abd5f7
-
The molecular basis for the pH-dependent calcium affinity of the pattern recognition receptor langerin,
J. O. Joswig, J. Anders, H. Zhang, C. Rademacher, B. G. Keller,
Journal of Biological Chemistry
2021,
296,
100718–0,
10.1016/j.jbc.2021.100718
-
Total Synthesis of the Death Cap Toxin Phalloidin: Atropoisomer Selectivity Explained by Molecular‐Dynamics Simulations,
G. Yao, J. Joswig, B. G. Keller, R. D. Süssmuth,
Chemistry – A European Journal
2019,
25,
8030–8034,
10.1002/chem.201901888
