Bettina G. Keller

According to our database, Bettina G. Keller authored at least 11 papers between 2016 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2025

Accuracy of Reaction Coordinate Based Rate Theories for Modelling Chemical Reactions: Insights From the Thermal Isomerization in Retinal.

Simon Ghysbrecht, Luca Donati, Bettina G. Keller

J. Comput. Chem., 2025

2024

Thermal isomerization rates in retinal analogues using Ab-Initio molecular dynamics.

Simon Ghysbrecht, Bettina G. Keller

J. Comput. Chem., June, 2024

Prebound State Discovered in the Unbinding Pathway of Fluorinated Variants of the Trypsin-BPTI Complex Using Random Acceleration Molecular Dynamics Simulations.

Leon Wehrhan, Bettina G. Keller

J. Chem. Inf. Model., 2024

2023

CommonNNClustering─A Python Package for Generic Common-Nearest-Neighbor Clustering.

Jan-Oliver Felix Kapp-Joswig, Bettina G. Keller

J. Chem. Inf. Model., February, 2023

2022

Target Recognition in Tandem WW Domains: Complex Structures for Parallel and Antiparallel Ligand Orientation in h-FBP21 Tandem WW.

Marius T. Wenz, Miriam Bertazzon, Jana Sticht, Stevan Aleksic, Daniela Gjorgjevikj, Christian Freund, Bettina G. Keller

J. Chem. Inf. Model., 2022

Clustering - Basic concepts and methods.

Jan-Oliver Felix Kapp-Joswig, Bettina G. Keller

CoRR, 2022

2019

Rationalization of the Membrane Permeability Differences in a Series of Analogue Cyclic Decapeptides.

Jagna Witek, Shuzhe Wang, Benjamin Schroeder, Robin Lingwood, Andreas Dounas, Hans-Jörg Roth, Marianne Fouché, Markus Blatter, Oliver Lemke, Bettina G. Keller, Sereina Riniker

J. Chem. Inf. Model., 2019

2018

An Automatic Adaptive Importance Sampling Algorithm for Molecular Dynamics in Reaction Coordinates.

J. Quer, Luca Donati, Bettina G. Keller, M. Weber

SIAM J. Sci. Comput., 2018

Common Nearest Neighbor Clustering - A Benchmark.

Oliver Lemke, Bettina G. Keller

Algorithms, 2018

2017

Correction to Kinetic Models of Cyclosporin A in Polar and Apolar Environments Reveal Multiple Congruent Conformational States.

Jagna Witek, Bettina G. Keller, Markus Blatter, Axel Meissner, Trixie Wagner, Sereina Riniker

J. Chem. Inf. Model., September, 2017

2016

Kinetic Models of Cyclosporin A in Polar and Apolar Environments Reveal Multiple Congruent Conformational States.

Jagna Witek, Bettina G. Keller, Marie-Claude Blatter, Axel Meissner, Trixie Wagner, Sereina Riniker

J. Chem. Inf. Model., 2016