Gerard Martínez-Rosell

According to our database, Gerard Martínez-Rosell authored at least 9 papers between 2017 and 2020.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2020

SkeleDock: A Web Application for Scaffold Docking in PlayMolecule.

Alejandro Varela-Rial, Maciej Majewski, Alberto Cuzzolin, Gerard Martínez-Rosell, Gianni De Fabritiis

J. Chem. Inf. Model., 2020

PlayMolecule CrypticScout: Predicting Protein Cryptic Sites Using Mixed-Solvent Molecular Simulations.

Gerard Martínez-Rosell, Silvia Lovera, Zara A. Sands, Gianni De Fabritiis

J. Chem. Inf. Model., 2020

2019

PathwayMap: Molecular Pathway Association with Self-Normalizing Neural Networks.

José Jiménez, Davide Sabbadin, Alberto Cuzzolin, Gerard Martínez-Rosell, Jacob Gora, John Manchester, José S. Duca, Gianni De Fabritiis

J. Chem. Inf. Model., 2019

LigVoxel: inpainting binding pockets using 3D-convolutional neural networks.

Miha Skalic, Alejandro Varela-Rial, José Jiménez, Gerard Martínez-Rosell, Gianni De Fabritiis

Bioinform., 2019

PlayMolecule BindScope: large scale CNN-based virtual screening on the web.

Miha Skalic, Gerard Martínez-Rosell, José Jiménez, Gianni De Fabritiis

Bioinform., 2019

2018

Molecular-Simulation-Driven Fragment Screening for the Discovery of New CXCL12 Inhibitors.

Gerard Martínez-Rosell, Matt J. Harvey, Gianni De Fabritiis

J. Chem. Inf. Model., 2018

KDEEP: Protein-Ligand Absolute Binding Affinity Prediction via 3D-Convolutional Neural Networks.

José Jiménez, Miha Skalic, Gerard Martínez-Rosell, Gianni De Fabritiis

J. Chem. Inf. Model., 2018

2017

PlayMolecule ProteinPrepare: A Web Application for Protein Preparation for Molecular Dynamics Simulations.

Gerard Martínez-Rosell, Toni Giorgino, Gianni De Fabritiis

J. Chem. Inf. Model., July, 2017

DeepSite: protein-binding site predictor using 3D-convolutional neural networks.

José Jiménez, Stefan Doerr, Gerard Martínez-Rosell, Alexander S. Rose, Gianni De Fabritiis

Bioinform., 2017