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Gianni De Fabritiis

Showing results (1-10 of 90) with videos related to

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Journal of Chemical Theory and Computation|November 25, 2015
A High-Throughput Steered Molecular Dynamics Study on the Free Energy Profile of Ion Permeation through Gramicidin AToni Giorgino, Gianni De Fabritiis
In Silico Pharmacology|February 27, 2015
High throughput molecular dynamics for drug discoveryNathaniel Stanley, Gianni De Fabritiis
Molecular Informatics|August 6, 2016
Binding Kinetics in Drug DiscoveryNoelia Ferruz, Gianni De Fabritiis
Proteins|August 18, 2010
Explicit solvent dynamics and energetics of HIV-1 protease flap opening and closingS Kashif Sadiq, Gianni De Fabritiis
Drug Discovery Today|April 17, 2012
High-throughput molecular dynamics: the powerful new tool for drug discoveryMatthew J Harvey, Gianni De Fabritiis
Scientific Reports|March 5, 2016
The pathway of ligand entry from the membrane bilayer to a lipid G protein-coupled receptorNathaniel Stanley, Leonardo Pardo, Gianni De Fabritiis
Journal of Chemical Theory and Computation|October 24, 2023
Top-Down Machine Learning of Coarse-Grained Protein Force FieldsCarles Navarro, Maciej Majewski, Gianni De Fabritiis
Proceedings of the National Academy of Sciences of the United States of America|June 8, 2011
Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulationsIgnasi Buch, Toni Giorgino, Gianni De Fabritiis
Journal of Chemical Information and Modeling|December 9, 2025
Test-Time Training Scaling Laws for Chemical Exploration in Drug DesignMorgan Thomas, Albert Bou, Gianni De Fabritiis
Arxiv|December 16, 2024
mdCATH: A Large-Scale MD Dataset for Data-Driven Computational BiophysicsAntonio Mirarchi, Toni Giorgino, Gianni De Fabritiis
Pageof 9

Showing results (1-10 of 90) with videos related to

Sort By:
Pageof 9
Journal of Chemical Theory and Computation|November 25, 2015
A High-Throughput Steered Molecular Dynamics Study on the Free Energy Profile of Ion Permeation through Gramicidin AToni Giorgino, Gianni De Fabritiis
In Silico Pharmacology|February 27, 2015
High throughput molecular dynamics for drug discoveryNathaniel Stanley, Gianni De Fabritiis
Molecular Informatics|August 6, 2016
Binding Kinetics in Drug DiscoveryNoelia Ferruz, Gianni De Fabritiis
Proteins|August 18, 2010
Explicit solvent dynamics and energetics of HIV-1 protease flap opening and closingS Kashif Sadiq, Gianni De Fabritiis
Drug Discovery Today|April 17, 2012
High-throughput molecular dynamics: the powerful new tool for drug discoveryMatthew J Harvey, Gianni De Fabritiis
Scientific Reports|March 5, 2016
The pathway of ligand entry from the membrane bilayer to a lipid G protein-coupled receptorNathaniel Stanley, Leonardo Pardo, Gianni De Fabritiis
Journal of Chemical Theory and Computation|October 24, 2023
Top-Down Machine Learning of Coarse-Grained Protein Force FieldsCarles Navarro, Maciej Majewski, Gianni De Fabritiis
Proceedings of the National Academy of Sciences of the United States of America|June 8, 2011
Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulationsIgnasi Buch, Toni Giorgino, Gianni De Fabritiis
Journal of Chemical Information and Modeling|December 9, 2025
Test-Time Training Scaling Laws for Chemical Exploration in Drug DesignMorgan Thomas, Albert Bou, Gianni De Fabritiis
Arxiv|December 16, 2024
mdCATH: A Large-Scale MD Dataset for Data-Driven Computational BiophysicsAntonio Mirarchi, Toni Giorgino, Gianni De Fabritiis
Pageof 9