Jaime Rubio-Martinez

17 papers Journal 17

Year	Rank	Type	Title / 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