Jaime Rubio-Martinez

Orcid: 0000-0002-5529-2325

According to our database1, Jaime Rubio-Martinez authored at least 16 papers between 1998 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of five.

Timeline

Legend:

Book 
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PhD thesis 
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Online presence:

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Bibliography

2024
The Discovery of inhibitors of the SARS-CoV-2 S protein through computational drug repurposing.
Comput. Biol. Medicine, 2024

2023
Discovery of Hit Compounds Targeting the P4 Allosteric Site of K-RAS, Identified through Ensemble-Based Virtual Screening.
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.
J. Chem. Inf. Model., June, 2023

2021
Discovery of Diverse Natural Products as Inhibitors of SARS-CoV-2 Mpro Protease through Virtual Screening.
J. Chem. Inf. Model., 2021

2020
Molecular Determinants for the Activation/Inhibition of Bak Protein by BH3 Peptides.
J. Chem. Inf. Model., 2020

2018
Modeling and subtleties of K-Ras and Calmodulin interaction.
PLoS Comput. Biol., 2018

2017
Identification of Potential Small Molecule Binding Pockets in p38α MAP Kinase.
J. Chem. Inf. Model., October, 2017

2016
Assessment of the Sampling Performance of Multiple-Copy Dynamics versus a Unique Trajectory.
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.
J. Chem. Inf. Model., 2014

2012
Molecular Determinants of Bim(BH3) Peptide Binding to Pro-Survival Proteins.
J. Chem. Inf. Model., 2012

2011
Rational Design of New Class of BH3-Mimetics As Inhibitors of the Bcl-x<sub>L</sub> Protein.
J. Chem. Inf. Model., 2011

2009
RED: A Set of Molecular Descriptors Based on Re'nyi Entropy.
J. Chem. Inf. Model., 2009

2007
Comparative Evaluation of MMPBSA and XSCORE To Compute Binding Free Energy in XIAP-Peptide Complexes.
J. Chem. Inf. Model., 2007

2006
Pseudometrics from three-positive semidefinite similarities.
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.
J. Comput. Aided Mol. Des., 2004

1998
Analysis of the convergence of the general coupling operator method for one-configuration-type wave functions.
J. Comput. Chem., 1998


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