Jaime Rodríguez-Guerra
Jaime Rodríguez-Guerra
Verified email at - Homepage
Cited by
Cited by
SARS-CoV-2 infects the human kidney and drives fibrosis in kidney organoids
J Jansen, KC Reimer, JS Nagai, FS Varghese, GJ Overheul, M de Beer, ...
Cell Stem Cell 29 (2), 217-231. e8, 2022
Prediction of the interaction of metallic moieties with proteins: An update for protein‐ligand docking techniques
G Sciortino, J Rodríguez‐Guerra Pedregal, A Lledós, E Garribba, ...
Journal of Computational Chemistry 39 (1), 42-51, 2018
Toward the Computational Design of Artificial Metalloenzymes: From Protein–Ligand Docking to Multiscale Approaches
V Muñoz Robles, E Ortega-Carrasco, L Alonso-Cotchico, ...
ACS Catalysis 5 (4), 2469-2480, 2015
napari: a multi-dimensional image viewer for Python
N Sofroniew, T Lambert, K Evans, J Nunez-Iglesias, G Bokota, P Winston, ...
Zenodo, 2022
GaudiMM: A modular multi‐objective platform for molecular modeling
J Rodríguez‐Guerra Pedregal, G Sciortino, J Guasp, M Municoy, ...
Journal of Computational Chemistry 38 (24), 2118-2126, 2017
Molecular Modeling for Artificial Metalloenzyme Design and Optimization
L Alonso-Cotchico, J Rodrı́guez-Guerra, A Lledós, JD Maréchal
Accounts of Chemical Research 53 (4), 896-905, 2020
Elucidating the 3D structures of Al (iii)–Aβ complexes: a template free strategy based on the pre-organization hypothesis
JI Mujika, J Rodríguez-Guerra Pedregal, X Lopez, JM Ugalde, ...
Chemical Science 8, 5041-5049, 2017
Open science discovery of oral non-covalent SARS-CoV-2 main protease inhibitor therapeutics
H Achdout, A Aimon, E Bar-David, H Barr, A Ben-Shmuel, J Bennett, ...
BioRxiv, 2020.10. 29.339317, 2021
Simple Coordination Geometry Descriptors Allow to Accurately Predict Metal-Binding Sites in Proteins
G Sciortino, E Garribba, J Rodríguez-Guerra Pedregal, JD Maréchal
ACS Omega 4 (2), 3726-3731, 2019
PyChimera: Use UCSF Chimera modules in any Python 2.7 project
J Rodríguez-Guerra Pedregal, JD Maréchal
Bioinformatics 34 (10), 1784-1785, 2018
ESIgen: Electronic Supporting Information Generator for Computational Chemistry Publications
J Rodríguez-Guerra Pedregal, P Gómez-Orellana, JD Maréchal
Journal of Chemical Information and Modeling 58 (3), 561-564, 2018
TeachOpenCADD-KNIME: A Teaching Platform for Computer-Aided Drug Design Using KNIME Workflows
D Sydow, M Wichmann, J Rodríguez-Guerra, D Goldmann, G Landrum, ...
Journal of chemical information and modeling 59 (10), 4083-4086, 2019
Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site
VA Streltsov, S Luang, A Peisley, JN Varghese, JR Ketudat Cairns, S Fort, ...
Nature Communications 10 (1), 2222, 2019
GPathFinder: Identification of Ligand-Binding Pathways by a Multi-Objective Genetic Algorithm
JE Sánchez-Aparicio, G Sciortino, DV Herrmannsdoerfer, PO Chueca, ...
International Journal of Molecular Sciences 20 (13), 3155, 2019
Differential response to Cadmium exposure by expression of a two and a three-domain metallothionein isoform in the land winkle Pomatias elegans: Valuating the marine heritage …
L Schmielau, M Dvorak, M Niederwanger, N Dobieszewski, ...
Science of The Total Environment 648, 561-571, 2018
An Integrated Computational Study of the Cu-Catalyzed Hydration of Alkenes in Water Solvent and into the Context of an Artificial Metallohydratase
L Alonso-Cotchico, G Sciortino, P Vidossich, ...
ACS Catalysis, 2019
Computational insight into the interaction of oxaliplatin with insulin
G Sciortino, JE Sanchez-Aparicio, J Rodríguez-Guerra Pedregal, ...
Metallomics, 2019
OMMProtocol: a command line application to launch molecular dynamics simulations with OpenMM
JRG Pedregal, L Alonso-Cotchico, L Velasco-Carneros, JD Maréchal
ChemRxiv. doi 10, 2018
Theoretical Study of Radical Inactivation, LOX Inhibition, and Iron Chelation: The Role of Ferulic Acid in Skin Protection against UVA Induced Oxidative Stress
A Amić, JM Dimitrić Marković, Z Marković, D Milenković, Ž Milanović, ...
Antioxidants 10 (8), 1303, 2021
The Effect of Cofactor Binding on the Conformational Plasticity of the Biological Receptors in Artificial Metalloenzymes: The Case Study of LmrR.
L Alonso-Cotchico, J Rodríguez-Guerra Pedregal, A Lledós, JD Maréchal
Frontiers in Chemistry 7, 211, 2019
The system can't perform the operation now. Try again later.
Articles 1–20