Gerard Martínez-Rosell

6PUBLICATIONS
8CO-AUTHORS
Biomolecular modelling and designDeep learningFormal methods for softwareBioinformatic methods development
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Publications (6)

|May 15, 2020
SkeleDock: A Web Application for Scaffold Docking in PlayMolecule.

Alejandro Varela-Rial, Maciej Majewski, Alberto Cuzzolin

|Mar 17, 2020
PlayMolecule CrypticScout: Predicting Protein Cryptic Sites Using Mixed-Solvent Molecular Simulations.

Gerard Martinez-Rosell, Silvia Lovera, Zara A Sands

|Feb 27, 2018
Molecular-Simulation-Driven Fragment Screening for the Discovery of New CXCL12 Inhibitors.

Gerard Martinez-Rosell, Matt J Harvey, Gianni De Fabritiis

|Jan 09, 2018
KDEEP: Protein-Ligand Absolute Binding Affinity Prediction via 3D-Convolutional Neural Networks.

José Jiménez, Miha Škalič, Gerard Martínez-Rosell

|Jul 21, 2017
High-Throughput Automated Preparation and Simulation of Membrane Proteins with HTMD.

Stefan Doerr, Toni Giorgino, Gerard Martínez-Rosell

|Jun 09, 2017
PlayMolecule ProteinPrepare: A Web Application for Protein Preparation for Molecular Dynamics Simulations.

Gerard Martínez-Rosell, Toni Giorgino, Gianni De Fabritiis

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Frequent Collaborators

3 joint publications

Gianni De Fabritiis

2 joint publications

Toni Giorgino

1 joint publications

Stefan Doerr

1 joint publications

João M Damas