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List of works by Gerard Martinez-Rosell

High-Throughput Automated Preparation and Simulation of Membrane Proteins with HTMD.

scientific article published on 19 July 2017

KDEEP: Protein-ligand absolute binding affinity prediction via 3D-convolutional neural networks

scientific article published on 8 January 2018

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

scientific article published on 26 February 2018

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

scientific article published on 01 April 2020

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

scientific article published on 08 June 2017

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