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Rocco Meli

Showing results (1-10 of 7) with videos related to

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Journal of Cheminformatics|January 12, 2021
spyrmsd: symmetry-corrected RMSD calculations in PythonRocco Meli, Philip C Biggin
Journal of Chemical Theory and Computation|April 7, 2018
A Versatile Multiple Time Step Scheme for Efficient ab Initio Molecular Dynamics SimulationsElisa Liberatore, Rocco Meli, Ursula Rothlisberger
Frontiers in Bioinformatics|October 3, 2022
Scoring Functions for Protein-Ligand Binding Affinity Prediction using Structure-Based Deep Learning: A ReviewRocco Meli, Garrett M Morris, Philip C Biggin
Journal of Cheminformatics|March 2, 2025
GNINA 1.3: the next increment in molecular docking with deep learningAndrew T McNutt, Yanjing Li, Rocco Meli, et al.
Journal of Cheminformatics|August 15, 2021
Learning protein-ligand binding affinity with atomic environment vectorsRocco Meli, Andrew Anighoro, Mike J Bodkin, et al.
Journal of Cheminformatics|June 10, 2021
GNINA 1.0: molecular docking with deep learningAndrew T McNutt, Paul Francoeur, Rishal Aggarwal, et al.
The Journal of Physical Chemistry. B|January 15, 2026
The CP2K Program Package Made SimpleMarcella Iannuzzi, Jan Wilhelm, Frederick Stein, et al.
Pageof 1

Showing results (1-10 of 7) with videos related to

Sort By:
Pageof 1
Journal of Cheminformatics|January 12, 2021
spyrmsd: symmetry-corrected RMSD calculations in PythonRocco Meli, Philip C Biggin
Journal of Chemical Theory and Computation|April 7, 2018
A Versatile Multiple Time Step Scheme for Efficient ab Initio Molecular Dynamics SimulationsElisa Liberatore, Rocco Meli, Ursula Rothlisberger
Frontiers in Bioinformatics|October 3, 2022
Scoring Functions for Protein-Ligand Binding Affinity Prediction using Structure-Based Deep Learning: A ReviewRocco Meli, Garrett M Morris, Philip C Biggin
Journal of Cheminformatics|March 2, 2025
GNINA 1.3: the next increment in molecular docking with deep learningAndrew T McNutt, Yanjing Li, Rocco Meli, et al.
Journal of Cheminformatics|August 15, 2021
Learning protein-ligand binding affinity with atomic environment vectorsRocco Meli, Andrew Anighoro, Mike J Bodkin, et al.
Journal of Cheminformatics|June 10, 2021
GNINA 1.0: molecular docking with deep learningAndrew T McNutt, Paul Francoeur, Rishal Aggarwal, et al.
The Journal of Physical Chemistry. B|January 15, 2026
The CP2K Program Package Made SimpleMarcella Iannuzzi, Jan Wilhelm, Frederick Stein, et al.
Pageof 1