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Sara Tkaczyk

Showing results (1-10 of 5) with videos related to

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The Journal of Physical Chemistry Letters|November 18, 2020
Enhanced Rigidity Changes Ultraviolet Absorption: Effect of a Merocyanine Binder on G-Quadruplex PhotophysicsDavide Avagliano, Sara Tkaczyk, Pedro A Sánchez-Murcia, et al.
Journal of Chemical Theory and Computation|December 17, 2025
Repeatability of Relative Free Energy Calculations in Solution with ANI-2x and MACE-OFF23Sara Tkaczyk, Thierry Langer, Marcus Wieder, et al.
The Journal of Physical Chemistry Letters|November 11, 2025
Architecture-Independent Absolute Solvation Free Energy Calculations with Neural Network PotentialsAnna Katharina Picha, Sara Tkaczyk, Thierry Langer, et al.
Journal of Chemical Theory and Computation|March 25, 2024
Reweighting from Molecular Mechanics Force Fields to the ANI-2x Neural Network PotentialSara Tkaczyk, Johannes Karwounopoulos, Andreas Schöller, et al.
The Journal of Physical Chemistry. B|July 8, 2024
Insights and Challenges in Correcting Force Field Based Solvation Free Energies Using a Neural Network PotentialJohannes Karwounopoulos, Zhiyi Wu, Sara Tkaczyk, et al.
Pageof 1

Showing results (1-10 of 5) with videos related to

Sort By:
Pageof 1
The Journal of Physical Chemistry Letters|November 18, 2020
Enhanced Rigidity Changes Ultraviolet Absorption: Effect of a Merocyanine Binder on G-Quadruplex PhotophysicsDavide Avagliano, Sara Tkaczyk, Pedro A Sánchez-Murcia, et al.
Journal of Chemical Theory and Computation|December 17, 2025
Repeatability of Relative Free Energy Calculations in Solution with ANI-2x and MACE-OFF23Sara Tkaczyk, Thierry Langer, Marcus Wieder, et al.
The Journal of Physical Chemistry Letters|November 11, 2025
Architecture-Independent Absolute Solvation Free Energy Calculations with Neural Network PotentialsAnna Katharina Picha, Sara Tkaczyk, Thierry Langer, et al.
Journal of Chemical Theory and Computation|March 25, 2024
Reweighting from Molecular Mechanics Force Fields to the ANI-2x Neural Network PotentialSara Tkaczyk, Johannes Karwounopoulos, Andreas Schöller, et al.
The Journal of Physical Chemistry. B|July 8, 2024
Insights and Challenges in Correcting Force Field Based Solvation Free Energies Using a Neural Network PotentialJohannes Karwounopoulos, Zhiyi Wu, Sara Tkaczyk, et al.
Pageof 1