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Bernadette Mohr

Showing results (1-10 of 4) with videos related to

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Journal of Chemical Theory and Computation|July 3, 2023
Condensed-Phase Molecular Representation to Link Structure and Thermodynamics in Molecular DynamicsBernadette Mohr, Diego van der Mast, Tristan Bereau
Chemical Science|June 3, 2022
Data-driven discovery of cardiolipin-selective small molecules by computational active learningBernadette Mohr, Kirill Shmilovich, Isabel S Kleinwächter, et al.
RSC Chemical Biology|July 22, 2022
CLiB - a novel cardiolipin-binder isolated <i>via</i> data-driven and <i>in vitro</i> screeningIsabel Kleinwächter, Bernadette Mohr, Aljoscha Joppe, et al.
Machine Learning: Science and Technology|October 6, 2025
32 examples of LLM applications in materials science and chemistry: towards automation, assistants, agents, and accelerated scientific discoveryYoel Zimmermann, Adib Bazgir, Alexander Al-Feghali, et al.
Pageof 1

Showing results (1-10 of 4) with videos related to

Sort By:
Pageof 1
Journal of Chemical Theory and Computation|July 3, 2023
Condensed-Phase Molecular Representation to Link Structure and Thermodynamics in Molecular DynamicsBernadette Mohr, Diego van der Mast, Tristan Bereau
Chemical Science|June 3, 2022
Data-driven discovery of cardiolipin-selective small molecules by computational active learningBernadette Mohr, Kirill Shmilovich, Isabel S Kleinwächter, et al.
RSC Chemical Biology|July 22, 2022
CLiB - a novel cardiolipin-binder isolated <i>via</i> data-driven and <i>in vitro</i> screeningIsabel Kleinwächter, Bernadette Mohr, Aljoscha Joppe, et al.
Machine Learning: Science and Technology|October 6, 2025
32 examples of LLM applications in materials science and chemistry: towards automation, assistants, agents, and accelerated scientific discoveryYoel Zimmermann, Adib Bazgir, Alexander Al-Feghali, et al.
Pageof 1