| Data-driven discovery of cardiolipin-selective small molecules by computational active learning B Mohr, K Shmilovich, IS Kleinwächter, D Schneider, AL Ferguson, ... Chemical Science 13 (16), 4498-4511, 2022 | 20 | 2022 |
| CLiB–a novel cardiolipin-binder isolated via data-driven and in vitro screening I Kleinwächter, B Mohr, A Joppe, N Hellmann, T Bereau, HD Osiewacz, ... RSC chemical biology 3 (7), 941-954, 2022 | 2 | 2022 |
| Condensed-Phase Molecular Representation to Link Structure and Thermodynamics in Molecular Dynamics B Mohr, D van der Mast, T Bereau Journal of Chemical Theory and Computation 19 (14), 4770-4779, 2023 | 1 | 2023 |
| Enhanced sampling strategies for molecular simulation of DNA B Mohr, T van Heesch, A Pérez de Alba Ortíz, J Vreede Wiley Interdisciplinary Reviews: Computational Molecular Science 14 (2), e1712, 2024 | | 2024 |
| Coarse-grained modeling for molecular discovery: Applications to cardiolipin-selectivity BJ Mohr | | 2023 |
| Structural Investigation of Small Molecule Selectivity for Cardiolipin B Mohr, T Bereau, D van der Mast APS March Meeting Abstracts 2023, LL10. 006, 2023 | | 2023 |
| Rational discovery of cardiolipin-selective small molecules by coarse-grained high-throughput simulations B Mohr, K Shmilovich, I Kleinwächter, D Schneider, A Ferguson, T Bereau APS March Meeting Abstracts 2022, Z06. 010, 2022 | | 2022 |
| Rational optimization of drug-membrane selectivity by computational screening B Mohr, K Shmilovich, T Bereau, A Ferguson APS March Meeting Abstracts 2021, C04. 001, 2021 | | 2021 |
| Discovering Molecules with Selective Membrane Partitioning Using Active Learning and Alchemical Transformation K Shmilovich, B Mohr, T Bereau, A Ferguson 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
| Multiscale simulations of cardiolipin-binding small molecules B Mohr Johannes Gutenberg-Universität Mainz, 2018 | | 2018 |
| Supporting Information: Data-driven discovery of cardiolipin-selective probe molecules by computational active learning B Mohr, K Shmilovich, I Kleinwächterc, D Schneiderc, AL Ferguson, ... | | |
Tristan BereauProfessor of Physics, Heidelberg UniversityVerified email at thphys.uni-heidelberg.de
