Bettina G. Keller

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 9

Top Topics

Molecular Dynamics Simulations

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

Publications

Simon Ghysbrecht, Bettina G. Keller
Thermal isomerization rates in retinal analogues using Ab-Initio molecular dynamics. J. Comput. Chem. 45 (16) (2024)
Leon Wehrhan, Bettina G. Keller
Prebound State Discovered in the Unbinding Pathway of Fluorinated Variants of the Trypsin-BPTI Complex Using Random Acceleration Molecular Dynamics Simulations. J. Chem. Inf. Model. 64 (13) (2024)
Jan-Oliver Felix Kapp-Joswig, Bettina G. Keller
CommonNNClustering─A Python Package for Generic Common-Nearest-Neighbor Clustering. J. Chem. Inf. Model. 63 (4) (2023)
Jan-Oliver Felix Kapp-Joswig, Bettina G. Keller
Clustering - Basic concepts and methods. CoRR (2022)
Marius T. Wenz, Miriam Bertazzon, Jana Sticht, Stevan Aleksic, Daniela Gjorgjevikj, Christian Freund, Bettina G. Keller
Target Recognition in Tandem WW Domains: Complex Structures for Parallel and Antiparallel Ligand Orientation in h-FBP21 Tandem WW. J. Chem. Inf. Model. 62 (24) (2022)
Jagna Witek, Shuzhe Wang, Benjamin Schroeder, Robin Lingwood, Andreas Dounas, Hans-Jörg Roth, Marianne Fouché, Markus Blatter, Oliver Lemke, Bettina G. Keller, Sereina Riniker
Rationalization of the Membrane Permeability Differences in a Series of Analogue Cyclic Decapeptides. J. Chem. Inf. Model. 59 (1) (2019)
Oliver Lemke, Bettina G. Keller
Common Nearest Neighbor Clustering - A Benchmark. Algorithms 11 (2) (2018)
Jagna Witek, Bettina G. Keller, Markus Blatter, Axel Meissner, Trixie Wagner, Sereina Riniker
Correction to Kinetic Models of Cyclosporin A in Polar and Apolar Environments Reveal Multiple Congruent Conformational States. J. Chem. Inf. Model. 57 (9) (2017)
Jagna Witek, Bettina G. Keller, Marie-Claude Blatter, Axel Meissner, Trixie Wagner, Sereina Riniker
Kinetic Models of Cyclosporin A in Polar and Apolar Environments Reveal Multiple Congruent Conformational States. J. Chem. Inf. Model. 56 (8) (2016)