Jaime Rubio-Martinez

17 papers Journal 17
YearRankTypeTitle / Venue / Authors
2025 J jnl
Boosting Drug Discovery: Expanding the Applicability of Fragment Dissolved Molecular Dynamics to Accelerate Binding Mode Elucidation.
J. Chem. Inf. Model.
Maria Nuria Peralta-Moreno, José M. Granadino-Roldán, Maria Santos Tomás, Jaime Rubio-Martinez
2024 J jnl
The Discovery of inhibitors of the SARS-CoV-2 S protein through computational drug repurposing.
Comput. Biol. Medicine
Ana Isabel Avilés-Alía, Joao Zulaica, Juan Jesús Pérez, Jaime Rubio-Martinez, Ron Geller, José M. Granadino-Roldán
2023 J jnl
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.
J. Chem. Inf. Model.
Guillem Vila-Julià, Juan Jesús Pérez, Jaime Rubio-Martinez
2023 J jnl
Discovery of Hit Compounds Targeting the P4 Allosteric Site of K-RAS, Identified through Ensemble-Based Virtual Screening.
J. Chem. Inf. Model.
Patricia Gómez-Gutiérrez, Jaime Rubio-Martinez, Juan Jesús Pérez
2021 J jnl
Discovery of Diverse Natural Products as Inhibitors of SARS-CoV-2 Mpro Protease through Virtual Screening.
J. Chem. Inf. Model.
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
2020 J jnl
Molecular Determinants for the Activation/Inhibition of Bak Protein by BH3 Peptides.
J. Chem. Inf. Model.
Guillem Vila-Julià, José M. Granadino-Roldán, Juan Jesús Pérez, Jaime Rubio-Martinez
2018 J jnl
Modeling and subtleties of K-Ras and Calmodulin interaction.
PLoS Comput. Biol.
Eduardo Garrido, Juan Lázaro, Montserrat Jaumot, Neus Agell, Jaime Rubio-Martinez
2017 J jnl
Identification of Potential Small Molecule Binding Pockets in p38α MAP Kinase.
J. Chem. Inf. Model.
Patricia Gómez-Gutiérrez, Jaime Rubio-Martinez, Juan Jesús Pérez
2016 J jnl
Assessment of the Sampling Performance of Multiple-Copy Dynamics versus a Unique Trajectory.
J. Chem. Inf. Model.
Juan Jesús Pérez, Maria Santos Tomás, Jaime Rubio-Martinez
2014 J jnl
Molecular Topology Applied to the Discovery of 1-Benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2
J. Chem. Inf. Model.
Laura Caboni, María Gálvez-Llompart, Jorge Gálvez, Fernando Blanco, Jaime Rubio-Martinez, Darren Fayne, David G. Lloyd
2012 J jnl
Molecular Determinants of Bim(BH3) Peptide Binding to Pro-Survival Proteins.
J. Chem. Inf. Model.
Laura Delgado-Soler, Marta Pinto, Kaori Tanaka-Gil, Jaime Rubio-Martinez
2011 J jnl
Rational Design of New Class of BH3-Mimetics As Inhibitors of the Bcl-x
J. Chem. Inf. Model.
Marta Pinto, Maria del Mar Orzaez, Laura Delgado-Soler, Juan Jesús Pérez, Jaime Rubio-Martinez
2009 J jnl
RED: A Set of Molecular Descriptors Based on Re'nyi Entropy.
J. Chem. Inf. Model.
Laura Delgado-Soler, Raúl Toral, Maria Santos Tomás, Jaime Rubio-Martinez
2007 J jnl
Comparative Evaluation of MMPBSA and XSCORE To Compute Binding Free Energy in XIAP-Peptide Complexes.
J. Chem. Inf. Model.
Cristian Obiol-Pardo, Jaime Rubio-Martinez
2006 J jnl
Pseudometrics from three-positive semidefinite similarities.
Fuzzy Sets Syst.
Maria Santos Tomás, Claudi Alsina, Jaime Rubio-Martinez
2004 J jnl
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.
J. Comput. Aided Mol. Des.
Marta Pinto, Juan Jesús Pérez, Jaime Rubio-Martinez
1998 J jnl
Analysis of the convergence of the general coupling operator method for one-configuration-type wave functions.
J. Comput. Chem.
Josep Maria Bofill, Hugo Bono, Jaime Rubio-Martinez