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Pharmaceuticals (Basel, Switzerland)
|
January 21, 2022
A Review on Parallel Virtual Screening Softwares for High-Performance Computers
Natarajan Arul Murugan, Artur Podobas, Davide Gadioli, et al.
Journal of Chemical Information and Modeling
|
November 22, 2025
Condensation of Force Field Parameters from Machine Learning Predicted Distributions for High-Throughput Virtual Screening Applications
Domenico Bonanni, Yuedong Zhang, Davide Gadioli, et al.
Computational and Structural Biotechnology Journal
|
June 3, 2024
Addressing docking pose selection with structure-based deep learning: Recent advances, challenges and opportunities
Serena Vittorio, Filippo Lunghini, Pietro Morerio, et al.
Computational and Structural Biotechnology Journal
|
August 5, 2024
Corrigendum to "Addressing docking pose selection with structure-based deep learning: Recent advances, challenges and opportunities" [Comput Struct Biotechnol J vol. 23 (2024) 2141-2151]
Serena Vittorio, Filippo Lunghini, Pietro Morerio, et al.
Scientific Reports
|
October 3, 2025
GENEOnet: a breakthrough in protein binding pocket detection using group equivariant non-expansive operators
Giovanni Bocchi, Patrizio Frosini, Alessandra Micheletti, et al.
Journal of Chemical Theory and Computation
|
May 13, 2026
Molecular Dynamics Workflows to Compute Large-Scale Sets of Absolute Binding Free Energies Aiding Drug Candidate and Binding Pose Selection
Sebastian Wingbermühle, Akash Deep Biswas, Domenico Bonanni, et al.
Expert Opinion on Drug Discovery
|
July 10, 2023
MEDIATE - Molecular DockIng at homE: Turning collaborative simulations into therapeutic solutions
Giulio Vistoli, Candida Manelfi, Carmine Talarico, et al.
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Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Pharmaceuticals (Basel, Switzerland)
|
January 21, 2022
A Review on Parallel Virtual Screening Softwares for High-Performance Computers
Natarajan Arul Murugan, Artur Podobas, Davide Gadioli, et al.
Journal of Chemical Information and Modeling
|
November 22, 2025
Condensation of Force Field Parameters from Machine Learning Predicted Distributions for High-Throughput Virtual Screening Applications
Domenico Bonanni, Yuedong Zhang, Davide Gadioli, et al.
Computational and Structural Biotechnology Journal
|
June 3, 2024
Addressing docking pose selection with structure-based deep learning: Recent advances, challenges and opportunities
Serena Vittorio, Filippo Lunghini, Pietro Morerio, et al.
Computational and Structural Biotechnology Journal
|
August 5, 2024
Corrigendum to "Addressing docking pose selection with structure-based deep learning: Recent advances, challenges and opportunities" [Comput Struct Biotechnol J vol. 23 (2024) 2141-2151]
Serena Vittorio, Filippo Lunghini, Pietro Morerio, et al.
Scientific Reports
|
October 3, 2025
GENEOnet: a breakthrough in protein binding pocket detection using group equivariant non-expansive operators
Giovanni Bocchi, Patrizio Frosini, Alessandra Micheletti, et al.
Journal of Chemical Theory and Computation
|
May 13, 2026
Molecular Dynamics Workflows to Compute Large-Scale Sets of Absolute Binding Free Energies Aiding Drug Candidate and Binding Pose Selection
Sebastian Wingbermühle, Akash Deep Biswas, Domenico Bonanni, et al.
Expert Opinion on Drug Discovery
|
July 10, 2023
MEDIATE - Molecular DockIng at homE: Turning collaborative simulations into therapeutic solutions
Giulio Vistoli, Candida Manelfi, Carmine Talarico, et al.
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of 1