Juan Jesús Pérez
Orcid: 0000-0002-0748-8147
According to our database1,
Juan Jesús Pérez
authored at least 20 papers
between 1990 and 2024.
Collaborative distances:
Collaborative distances:
Timeline
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on orcid.org
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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
J. Chem. Inf. Model., 2020
2017
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
New insights into the stereochemical requirements of the bradykinin B2 receptor antagonists binding.
J. Comput. Aided Mol. Des., 2016
2011
Rational Design of New Class of BH3-Mimetics As Inhibitors of the Bcl-x<sub>L</sub> Protein.
J. Chem. Inf. Model., 2011
J. Comput. Chem., 2011
2008
2007
Effect of different treatments of long-range interactions and sampling conditions in molecular dynamic simulations of rhodopsin embedded in a dipalmitoyl phosphatidylcholine bilayer.
J. Comput. Chem., 2007
2004
Comparative analysis of the conformational profile of substance P using simulated annealing and molecular dynamics.
J. Comput. Chem., 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
1999
Molecular modeling study of the differential ligand-receptor interaction at the µ, delta and kappa opioid receptors.
J. Comput. Aided Mol. Des., 1999
1998
BUNDLE: A program for building the transmembrane domains of G-protein-coupled receptors.
J. Comput. Aided Mol. Des., 1998
1993
Comparison of methods to estimate the free energy of solvation: Importance in the modulation of the affinity of 3-benzazepines for the D<sub>1</sub>receptor.
J. Comput. Chem., 1993
1990
Molecular modelling study of changes induced by netropsin binding to nucleosome core particles.
Nucleic Acids Res., 1990