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Gerard Martínez-Rosell

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Current Opinion in Structural Biology|February 25, 2018
Simulations meet machine learning in structural biologyAdrià Pérez, Gerard Martínez-Rosell, Gianni De Fabritiis
Journal of Chemical Information and Modeling|June 9, 2017
PlayMolecule ProteinPrepare: A Web Application for Protein Preparation for Molecular Dynamics SimulationsGerard Martínez-Rosell, Toni Giorgino, Gianni De Fabritiis
Journal of Chemical Information and Modeling|January 9, 2018
K<sub>DEEP</sub>: Protein-Ligand Absolute Binding Affinity Prediction via 3D-Convolutional Neural NetworksJosé Jiménez, Miha Škalič, Gerard Martínez-Rosell, et al.
Bioinformatics (Oxford, England)|September 1, 2018
PlayMolecule BindScope: large scale CNN-based virtual screening on the webMiha Skalic, Gerard Martínez-Rosell, José Jiménez, et al.
Current Topics in Medicinal Chemistry|April 18, 2017
Drug Discovery and Molecular Dynamics: Methods, Applications and Perspective Beyond the Second TimescaleGerard Martínez-Rosell, Toni Giorgino, Matt J Harvey, et al.
Journal of Chemical Theory and Computation|July 21, 2017
High-Throughput Automated Preparation and Simulation of Membrane Proteins with HTMDStefan Doerr, Toni Giorgino, Gerard Martínez-Rosell, et al.
Bioinformatics (Oxford, England)|July 9, 2018
LigVoxel: inpainting binding pockets using 3D-convolutional neural networksMiha Skalic, Alejandro Varela-Rial, José Jiménez, et al.
Journal of Chemical Information and Modeling|May 15, 2020
SkeleDock: A Web Application for Scaffold Docking in PlayMoleculeAlejandro Varela-Rial, Maciej Majewski, Alberto Cuzzolin, et al.
Chemical Science|March 20, 2020
DeltaDelta neural networks for lead optimization of small molecule potencyJosé Jiménez-Luna, Laura Pérez-Benito, Gerard Martínez-Rosell, et al.
Journal of Chemical Information and Modeling|December 27, 2018
PathwayMap: Molecular Pathway Association with Self-Normalizing Neural NetworksJosé Jiménez, Davide Sabbadin, Alberto Cuzzolin, et al.
Pageof 1

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

Sort By:
Pageof 1
Current Opinion in Structural Biology|February 25, 2018
Simulations meet machine learning in structural biologyAdrià Pérez, Gerard Martínez-Rosell, Gianni De Fabritiis
Journal of Chemical Information and Modeling|June 9, 2017
PlayMolecule ProteinPrepare: A Web Application for Protein Preparation for Molecular Dynamics SimulationsGerard Martínez-Rosell, Toni Giorgino, Gianni De Fabritiis
Journal of Chemical Information and Modeling|January 9, 2018
K<sub>DEEP</sub>: Protein-Ligand Absolute Binding Affinity Prediction via 3D-Convolutional Neural NetworksJosé Jiménez, Miha Škalič, Gerard Martínez-Rosell, et al.
Bioinformatics (Oxford, England)|September 1, 2018
PlayMolecule BindScope: large scale CNN-based virtual screening on the webMiha Skalic, Gerard Martínez-Rosell, José Jiménez, et al.
Current Topics in Medicinal Chemistry|April 18, 2017
Drug Discovery and Molecular Dynamics: Methods, Applications and Perspective Beyond the Second TimescaleGerard Martínez-Rosell, Toni Giorgino, Matt J Harvey, et al.
Journal of Chemical Theory and Computation|July 21, 2017
High-Throughput Automated Preparation and Simulation of Membrane Proteins with HTMDStefan Doerr, Toni Giorgino, Gerard Martínez-Rosell, et al.
Bioinformatics (Oxford, England)|July 9, 2018
LigVoxel: inpainting binding pockets using 3D-convolutional neural networksMiha Skalic, Alejandro Varela-Rial, José Jiménez, et al.
Journal of Chemical Information and Modeling|May 15, 2020
SkeleDock: A Web Application for Scaffold Docking in PlayMoleculeAlejandro Varela-Rial, Maciej Majewski, Alberto Cuzzolin, et al.
Chemical Science|March 20, 2020
DeltaDelta neural networks for lead optimization of small molecule potencyJosé Jiménez-Luna, Laura Pérez-Benito, Gerard Martínez-Rosell, et al.
Journal of Chemical Information and Modeling|December 27, 2018
PathwayMap: Molecular Pathway Association with Self-Normalizing Neural NetworksJosé Jiménez, Davide Sabbadin, Alberto Cuzzolin, et al.
Pageof 1