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Alejandro Varela-Rial
Alejandro Varela-Rial
Industrial PhD at Acellera Ltd. and UPF
Verified email at estudiant.upf.edu
Title
Cited by
Cited by
Year
GPCRmd uncovers the dynamics of the 3D-GPCRome
I Rodríguez-Espigares, M Torrens-Fontanals, JKS Tiemann, ...
Nature Methods 17 (8), 777-787, 2020
1082020
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
662019
Structure based virtual screening: Fast and slow
A Varela‐Rial, M Majewski, G De Fabritiis
Wiley Interdisciplinary Reviews: Computational Molecular Science 12 (2), e1544, 2022
322022
Membrane cholesterol effect on the 5‐HT2A receptor: Insights into the lipid‐induced modulation of an antipsychotic drug target
JM Ramírez‐Anguita, I Rodríguez‐Espigares, R Guixà‐González, ...
Biotechnology and applied biochemistry 65 (1), 29-37, 2018
152018
PlayMolecule glimpse: Understanding protein–ligand property predictions with interpretable neural networks
A Varela-Rial, I Maryanow, M Majewski, S Doerr, N Schapin, ...
Journal of chemical information and modeling 62 (2), 225-231, 2022
122022
NNP/MM: Accelerating molecular dynamics simulations with machine learning potentials and molecular mechanics
R Galvelis, A Varela-Rial, S Doerr, R Fino, P Eastman, TE Markland, ...
Journal of chemical information and modeling 63 (18), 5701-5708, 2023
92023
SkeleDock: a web application for scaffold docking in PlayMolecule
A Varela-Rial, M Majewski, A Cuzzolin, G Martínez-Rosell, G De Fabritiis
Journal of chemical information and modeling 60 (6), 2673-2677, 2020
92020
NNP/MM: Fast molecular dynamics simulations with machine learning potentials and molecular mechanics
R Galvelis, A Varela-Rial, S Doerr, R Fino, P Eastman, TE Markland, ...
arXiv preprint arXiv:2201.08110, 2022
32022
Machine Learning Small Molecule Properties in Drug Discovery
N Schapin, M Majewski, A Varela-Rial, C Arroniz, G De Fabritiis
Artificial Intelligence Chemistry, 100020, 2023
2023
LigVoxel: Inpainting binding pockets using 3D-convolutional neural networks
A Varela Rial, G De Fabritiis
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019
2019
SkeleDock: New scaffold docking based algorithm
A Varela Rial, G De Fabritiis
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019
2019
Supplementary Information SkeleDock: A Web Application for Scaffold Docking in PlayMolecule
A Varela-Rial, M Majewski, A Cuzzolin, G Martınez-Rosell, G De Fabritiis
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Articles 1–12