Jaime Rubio-Martinez

According to our database, Jaime Rubio-Martinez authored at least 16 papers between 1998 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2024

The Discovery of inhibitors of the SARS-CoV-2 S protein through computational drug repurposing.

Ana Isabel Avilés-Alía, Joao Zulaica, Juan Jesús Pérez, Jaime Rubio-Martinez, Ron Geller, José M. Granadino-Roldán

Comput. Biol. Medicine, 2024

2023

Discovery of Hit Compounds Targeting the P4 Allosteric Site of K-RAS, Identified through Ensemble-Based Virtual Screening.

Patricia Gómez-Gutiérrez, Jaime Rubio-Martinez, Juan Jesús Pérez

J. Chem. Inf. Model., October, 2023

A Step Forward toward Selective Activation/Inhibition of Bak, a Pro-Apoptotic Member of the Bcl-2 Protein Family: Discovery of New Prospective Allosteric Sites Using Molecular Dynamics.

Guillem Vila-Julià, Juan Jesús Pérez, Jaime Rubio-Martinez

J. Chem. Inf. Model., June, 2023

2021

Discovery of Diverse Natural Products as Inhibitors of SARS-CoV-2 Mpro Protease through Virtual Screening.

Jaime Rubio-Martinez, Ana Jiménez-Alesanco, Laura Ceballos-Laita, David Ortega-Alarcón, Sonia Vega, Cristina Calvo, Cristina Benítez, Olga Abian, Adrián Velázquez-Campoy, Timothy M. Thomson, José Manuel Granadino-Roldán, Patricia Gómez-Gutiérrez, Juan Jesús Pérez

J. Chem. Inf. Model., 2021

2020

Molecular Determinants for the Activation/Inhibition of Bak Protein by BH3 Peptides.

Guillem Vila-Julià, José M. Granadino-Roldán, Juan Jesús Pérez, Jaime Rubio-Martinez

J. Chem. Inf. Model., 2020

2018

Modeling and subtleties of K-Ras and Calmodulin interaction.

Eduardo Garrido, Juan Lázaro, Montserrat Jaumot, Neus Agell, Jaime Rubio-Martinez

PLoS Comput. Biol., 2018

2017

Identification of Potential Small Molecule Binding Pockets in p38α MAP Kinase.

Patricia Gómez-Gutiérrez, Jaime Rubio-Martinez, Juan Jesús Pérez

J. Chem. Inf. Model., October, 2017

2016

Assessment of the Sampling Performance of Multiple-Copy Dynamics versus a Unique Trajectory.

Juan Jesús Pérez, Maria Santos Tomás, Jaime Rubio-Martinez

J. Chem. Inf. Model., 2016

2014

Molecular Topology Applied to the Discovery of 1-Benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2<i>H</i>-pyrrole-5-one as a Non-Ligand-Binding-Pocket Antiandrogen.

Laura Caboni, María Gálvez-Llompart, Jorge Gálvez, Fernando Blanco, Jaime Rubio-Martinez, Darren Fayne, David G. Lloyd

J. Chem. Inf. Model., 2014

2012

Molecular Determinants of Bim(BH3) Peptide Binding to Pro-Survival Proteins.

Laura Delgado-Soler, Marta Pinto, Kaori Tanaka-Gil, Jaime Rubio-Martinez

J. Chem. Inf. Model., 2012

2011

Rational Design of New Class of BH3-Mimetics As Inhibitors of the Bcl-x_L Protein.

Marta Pinto, Maria del Mar Orzaez, Laura Delgado-Soler, Juan Jesús Pérez, Jaime Rubio-Martinez

J. Chem. Inf. Model., 2011

2009

RED: A Set of Molecular Descriptors Based on Re'nyi Entropy.

Laura Delgado-Soler, Raúl Toral, Maria Santos Tomás, Jaime Rubio-Martinez

J. Chem. Inf. Model., 2009

2007

Comparative Evaluation of MMPBSA and XSCORE To Compute Binding Free Energy in XIAP-Peptide Complexes.

Cristian Obiol-Pardo, Jaime Rubio-Martinez

J. Chem. Inf. Model., 2007

2006

Pseudometrics from three-positive semidefinite similarities.

Maria Santos Tomás, Claudi Alsina, Jaime Rubio-Martinez

Fuzzy Sets Syst., 2006

2004

Molecular dynamics study of peptide segments of the BH3 domain of the proapoptotic proteins Bak, Bax, Bid and Hrk bound to the Bcl-xL and Bcl-2 proteins.

Marta Pinto, Juan Jesús Pérez, Jaime Rubio-Martinez

J. Comput. Aided Mol. Des., 2004

1998

Analysis of the convergence of the general coupling operator method for one-configuration-type wave functions.

Josep Maria Bofill, Hugo Bono, Jaime Rubio-Martinez

J. Comput. Chem., 1998