Gerard Martínez-Rosell

Publication Activity (10 Years)

Years Active: 2017-2020
Publications (10 Years): 9

Top Topics

Predicting Protein

Convolutional Neural Networks

Major Histocompatibility Complex

Top Venues

J. Chem. Inf. Model.

Publications

Alejandro Varela-Rial, Maciej Majewski, Alberto Cuzzolin, Gerard Martínez-Rosell, Gianni De Fabritiis
SkeleDock: A Web Application for Scaffold Docking in PlayMolecule. J. Chem. Inf. Model. 60 (6) (2020)
Gerard Martínez-Rosell, Silvia Lovera, Zara A. Sands, Gianni De Fabritiis
PlayMolecule CrypticScout: Predicting Protein Cryptic Sites Using Mixed-Solvent Molecular Simulations. J. Chem. Inf. Model. 60 (4) (2020)
Miha Skalic, Alejandro Varela-Rial, José Jiménez, Gerard Martínez-Rosell, Gianni De Fabritiis
LigVoxel: inpainting binding pockets using 3D-convolutional neural networks. Bioinform. 35 (2) (2019)
José Jiménez, Davide Sabbadin, Alberto Cuzzolin, Gerard Martínez-Rosell, Jacob Gora, John Manchester, José S. Duca, Gianni De Fabritiis
PathwayMap: Molecular Pathway Association with Self-Normalizing Neural Networks. J. Chem. Inf. Model. 59 (3) (2019)
Miha Skalic, Gerard Martínez-Rosell, José Jiménez, Gianni De Fabritiis
PlayMolecule BindScope: large scale CNN-based virtual screening on the web. Bioinform. 35 (7) (2019)
Gerard Martínez-Rosell, Matt J. Harvey, Gianni De Fabritiis
Molecular-Simulation-Driven Fragment Screening for the Discovery of New CXCL12 Inhibitors. J. Chem. Inf. Model. 58 (3) (2018)
José Jiménez, Miha Skalic, Gerard Martínez-Rosell, Gianni De Fabritiis
KDEEP: Protein-Ligand Absolute Binding Affinity Prediction via 3D-Convolutional Neural Networks. J. Chem. Inf. Model. 58 (2) (2018)
Gerard Martínez-Rosell, Toni Giorgino, Gianni De Fabritiis
PlayMolecule ProteinPrepare: A Web Application for Protein Preparation for Molecular Dynamics Simulations. J. Chem. Inf. Model. 57 (7) (2017)
José Jiménez, Stefan Doerr, Gerard Martínez-Rosell, Alexander S. Rose, Gianni De Fabritiis
DeepSite: protein-binding site predictor using 3D-convolutional neural networks. Bioinform. 33 (19) (2017)