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Journal of Chemical Information and Modeling
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August 27, 2025
Basic Stability Tests of Machine Learning Potentials for Molecular Simulations in Computational Drug Discovery
Kavindri Ranasinghe, Adam L Baskerville, Geoffrey P F Wood, 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 Potential
Johannes Karwounopoulos, Zhiyi Wu, Sara Tkaczyk, et al.
Nature Communications
|
October 17, 2025
AQuaRef: machine learning accelerated quantum refinement of protein structures
Roman Zubatyuk, Malgorzata Biczysko, Kavindri Ranasinghe, et al.
Biorxiv : the Preprint Server for Biology
|
July 29, 2024
AQuaRef: Machine learning accelerated quantum refinement of protein structures
Roman Zubatyuk, Malgorzata Biczysko, Kavindri Ranasinghe, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
Journal of Chemical Information and Modeling
|
August 27, 2025
Basic Stability Tests of Machine Learning Potentials for Molecular Simulations in Computational Drug Discovery
Kavindri Ranasinghe, Adam L Baskerville, Geoffrey P F Wood, 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 Potential
Johannes Karwounopoulos, Zhiyi Wu, Sara Tkaczyk, et al.
Nature Communications
|
October 17, 2025
AQuaRef: machine learning accelerated quantum refinement of protein structures
Roman Zubatyuk, Malgorzata Biczysko, Kavindri Ranasinghe, et al.
Biorxiv : the Preprint Server for Biology
|
July 29, 2024
AQuaRef: Machine learning accelerated quantum refinement of protein structures
Roman Zubatyuk, Malgorzata Biczysko, Kavindri Ranasinghe, et al.
Page
of 1