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ORCIDJaime Rubio-Martinez
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2020 – today
- 2024
[j16]Ana Isabel Avilés-Alía
, Joao Zulaica, Juan Jesús Pérez, Jaime Rubio-Martinez, Ron Geller, José M. Granadino-Roldán:
The Discovery of inhibitors of the SARS-CoV-2 S protein through computational drug repurposing. Comput. Biol. Medicine 171: 108163 (2024)- 2023
- [j15]Guillem Vila-Julià, Juan Jesús Pérez, Jaime Rubio-Martinez:
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. 63(11): 3544-3556 (2023) - [j14]Patricia Gómez-Gutiérrez, Jaime Rubio-Martinez, Juan Jesús Pérez:
Discovery of Hit Compounds Targeting the P4 Allosteric Site of K-RAS, Identified through Ensemble-Based Virtual Screening. J. Chem. Inf. Model. 63(20): 6412-6422 (2023) - 2021
- [j13]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:
Discovery of Diverse Natural Products as Inhibitors of SARS-CoV-2 Mpro Protease through Virtual Screening. J. Chem. Inf. Model. 61(12): 6094-6106 (2021) - 2020
- [j12]Guillem Vila-Julià, José M. Granadino-Roldán, Juan Jesús Pérez, Jaime Rubio-Martinez:
Molecular Determinants for the Activation/Inhibition of Bak Protein by BH3 Peptides. J. Chem. Inf. Model. 60(3): 1632-1643 (2020)
2010 – 2019
- 2018
- [j11]Eduardo Garrido, Juan Lázaro, Montserrat Jaumot, Neus Agell, Jaime Rubio-Martinez:
Modeling and subtleties of K-Ras and Calmodulin interaction. PLoS Comput. Biol. 14(10) (2018) - 2017
- [j10]Patricia Gómez-Gutiérrez, Jaime Rubio-Martinez, Juan Jesús Pérez:
Identification of Potential Small Molecule Binding Pockets in p38α MAP Kinase. J. Chem. Inf. Model. 57(10): 2566-2574 (2017) - 2016
- [j9]Juan Jesús Pérez, Maria Santos Tomás, Jaime Rubio-Martinez:
Assessment of the Sampling Performance of Multiple-Copy Dynamics versus a Unique Trajectory. J. Chem. Inf. Model. 56(10): 1950-1962 (2016) - 2014
- [j8]Laura Caboni, María Gálvez-Llompart, Jorge Gálvez, Fernando Blanco, Jaime Rubio-Martinez, Darren Fayne, David G. Lloyd:
Molecular Topology Applied to the Discovery of 1-Benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2H-pyrrole-5-one as a Non-Ligand-Binding-Pocket Antiandrogen. J. Chem. Inf. Model. 54(10): 2953-2966 (2014) - 2012
- [j7]Laura Delgado-Soler, Marta Pinto, Kaori Tanaka-Gil, Jaime Rubio-Martinez:
Molecular Determinants of Bim(BH3) Peptide Binding to Pro-Survival Proteins. J. Chem. Inf. Model. 52(8): 2107-2118 (2012) - 2011
- [j6]Marta Pinto, Maria del Mar Orzaez, Laura Delgado-Soler, Juan Jesús Pérez, Jaime Rubio-Martinez:
Rational Design of New Class of BH3-Mimetics As Inhibitors of the Bcl-xL Protein. J. Chem. Inf. Model. 51(6): 1249-1258 (2011)
2000 – 2009
- 2009
- [j5]Laura Delgado-Soler, Raúl Toral, Maria Santos Tomás, Jaime Rubio-Martinez:
RED: A Set of Molecular Descriptors Based on Re'nyi Entropy. J. Chem. Inf. Model. 49(11): 2457-2468 (2009) - 2007
- [j4]Cristian Obiol-Pardo, Jaime Rubio-Martinez:
Comparative Evaluation of MMPBSA and XSCORE To Compute Binding Free Energy in XIAP-Peptide Complexes. J. Chem. Inf. Model. 47(1): 134-142 (2007) - 2006
- [j3]Maria Santos Tomás, Claudi Alsina, Jaime Rubio-Martinez:
Pseudometrics from three-positive semidefinite similarities. Fuzzy Sets Syst. 157(17): 2347-2355 (2006) - 2004
- [j2]Marta Pinto, Juan Jesús Pérez, Jaime Rubio-Martinez:
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. 18(1): 13-22 (2004)
1990 – 1999
- 1998
- [j1]Josep Maria Bofill, Hugo Bono, Jaime Rubio-Martinez:
Analysis of the convergence of the general coupling operator method for one-configuration-type wave functions. J. Comput. Chem. 19(3): 368-376 (1998)
Coauthor Index
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