José Jiménez-Luna
José Jiménez-Luna
Verified email at upf.edu
TitleCited byYear
KDEEP: Protein-ligand absolute binding affinity prediction via 3D-convolutional neural networks.
GDF José Jiménez Luna, Miha Skalic, Gerard Martinez-Rosell
J. Chem. Inf. Model., 2018
66*2018
DeepSite: Protein binding site predictor using 3D-convolutional neural networks
GDF J. Jiménez, S. Doerr, G. Martínez-Rosell, A. S. Rose
Bioinformatics 33 (19), 3036–3042, 2017
512017
LigVoxel: inpainting binding pockets using 3D-convolutional neural networks
M Skalic, A Varela-Rial, J Jiménez, G Martínez-Rosell, G De Fabritiis
Bioinformatics 35 (2), 243-250, 2018
72018
pyGPGO: Bayesian Optimization for Python
J Jiménez, J Ginebra
Journal of Open Source Software 2 (19), 431, 2017
52017
PlayMolecule BindScope: large scale CNN-based virtual screening on the web
M Skalic, G Martínez-Rosell, J Jiménez, G De Fabritiis
Bioinformatics 35 (7), 1237-1238, 2018
32018
Shape-Based Generative Modeling for de Novo Drug Design
M Skalic, J Jiménez, D Sabbadin, G De Fabritiis
Journal of chemical information and modeling 59 (3), 1205-1214, 2019
12019
PathwayMap: Molecular pathway association with self-normalizing neural networks
J Jiménez, D Sabbadin, A Cuzzolin, G Martínez-Rosell, J Gora, ...
Journal of chemical information and modeling 59 (3), 1172-1181, 2018
12018
DeltaDelta Neural Networks for Lead Optimization of Small Molecule Potency
J Jimenez-Luna, L Pérez-Benito, G Martinez-Rosell, S Sciabola, R Torella, ...
ChemRxiv, 2019
2019
Bayesian Optimization in Machine Learning
J Jiménez Luna
Universitat Politècnica de Catalunya, 2017
2017
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Articles 1–9