José Jiménez-Luna
José Jiménez-Luna
Postdoctoral fellow, ETH Zurich
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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
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
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
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, 2019
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, 2019
pyGPGO: Bayesian Optimization for Python
J Jiménez, J Ginebra
Journal of Open Source Software 2 (19), 431, 2017
PathwayMap: Molecular pathway association with self-normalizing neural networks
J Jimenez, D Sabbadin, A Cuzzolin, G Martinez-Rosell, J Gora, ...
Journal of chemical information and modeling 59 (3), 1172-1181, 2018
DeltaDelta neural networks for lead optimization of small molecule potency
J Jiménez-Luna, L Pérez-Benito, G Martínez-Rosell, S Sciabola, R Torella, ...
Chemical Science 10 (47), 10911-10918, 2019
Machine learning in structural biology and chemoinformatics: Driving drug discovery one epoch at a time
J Jiménez Luna
Universitat Pompeu Fabra, 2019
pyGPGO Documentation
J Jimenez
Bayesian Optimization in Machine Learning
J Jiménez Luna
Universitat Politècnica de Catalunya, 2017
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