List of works - Jaime Rodríguez-Guerra Pedregal

Cerebral sex dimorphism and sexual orientation

scientific article published on 11 December 2017

Computational insight into the interaction of oxaliplatin with insulin

scientific article published on 01 April 2019

Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site

scientific article published on 20 May 2019

ESIgen: Electronic Supporting Information Generator for Computational Chemistry Publications

scientific article published on 13 March 2018

Elucidating the 3D structures of Al(iii)-Aβ complexes: a template free strategy based on the pre-organization hypothesis

scientific article published on 9 May 2017

GARLEEK: Adding an extra flavor to ONIOM

scientific article published on 21 November 2018

GPathFinder: Identification of Ligand-Binding Pathways by a Multi-Objective Genetic Algorithm

scientific article published on 28 June 2019

GaudiMM: A modular multi-objective platform for molecular modeling

scientific article published on 12 June 2017

Molecular Modeling for Artificial Metalloenzyme Design and Optimization

scientific article published on 01 April 2020

OpenCADD-KLIFS: A Python package to fetch kinase data from the KLIFS database

scientific article published on 17 February 2022

Prediction of the interaction of metallic moieties with proteins: An update for protein-ligand docking techniques

scientific article

PyChimera: Use UCSF Chimera modules in any Python 2.7 project.

scientific article published on 11 January 2018

Simple Coordination Geometry Descriptors Allow to Accurately Predict Metal-Binding Sites in Proteins

scientific article published on 19 February 2019

TeachOpenCADD 2022: open source and FAIR Python pipelines to assist in structural bioinformatics and cheminformatics research

scientific article published on 14 April 2022

TeachOpenCADD-KNIME: A Teaching Platform for Computer-Aided Drug Design Using KNIME Workflows

scientific article published on 15 October 2019

The Effect of Cofactor Binding on the Conformational Plasticity of the Biological Receptors in Artificial Metalloenzymes: The Case Study of LmrR

scientific article published on 10 April 2019

List of works by Jaime Rodríguez-Guerra Pedregal