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ORCIDJuan Jesús Pérez
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2020 – today
- 2024
[j21]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
- [j20]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) - [j19]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
- [j18]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
- [j17]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
- 2017
- [j16]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
- [j15]Cecylia S. Lupala, Patricia Gómez-Gutiérrez, Juan Jesús Pérez:
New insights into the stereochemical requirements of the bradykinin B2 receptor antagonists binding. J. Comput. Aided Mol. Des. 30(1): 85-101 (2016) - [j14]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) - 2011
- [j13]Leonard Jaillet, Francesc Corcho, Juan Jesús Pérez, Juan Cortés:
Randomized tree construction algorithm to explore energy landscapes. J. Comput. Chem. 32(16): 3464-3474 (2011) - [j12]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
- 2008
- [j11]Josep M. Porta, Lluís Ros, Federico Thomas, Francesc Corcho, Josep Cantó, Juan Jesús Pérez:
Complete maps of molecular-loop conformational spaces. J. Comput. Chem. 29(1): 144-155 (2008) - 2007
- [j10]Arnau Cordomí, Olle Edholm, Juan Jesús Pérez:
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. 28(6): 1017-1030 (2007) - [j9]Josep M. Porta, Lluís Ros, Federico Thomas, Francesc Corcho, Josep Cantó, Juan Jesús Pérez:
Complete maps of molecular-loop conformational spaces. J. Comput. Chem. 28(13): 2170-2189 (2007) - 2004
- [j8]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) - [j7]Francesc Corcho, Josep Cantó, Juan Jesús Pérez:
Comparative analysis of the conformational profile of substance P using simulated annealing and molecular dynamics. J. Comput. Chem. 25(16): 1937-1952 (2004)
1990 – 1999
- 1999
- [j6]Marta Filizola, Maria Cartenì-Farina, Juan Jesús Pérez:
Molecular modeling study of the differential ligand-receptor interaction at the µ, delta and kappa opioid receptors. J. Comput. Aided Mol. Des. 13(4): 397-407 (1999) - 1998
- [j5]Nuria B. Centeno, Juan Jesús Pérez:
A proposed bioactive conformation of Peptide T. J. Comput. Aided Mol. Des. 12(1): 7-14 (1998) - [j4]Marta Filizola, Juan Jesús Pérez, Maria Cartenì-Farina:
BUNDLE: A program for building the transmembrane domains of G-protein-coupled receptors. J. Comput. Aided Mol. Des. 12(2): 111-118 (1998) - 1993
- [j3]Carlos Alemán, Juan Jesús Pérez:
SCF-MO study of the polyglycine II structure. J. Comput. Aided Mol. Des. 7(2): 241-250 (1993) - [j2]Ibon Alkorta, Hugo O. Villar, Juan Jesús Pérez:
Comparison of methods to estimate the free energy of solvation: Importance in the modulation of the affinity of 3-benzazepines for the D1receptor. J. Comput. Chem. 14(5): 620-626 (1993) - 1990
- [j1]Juan Jesús Pérez, J. Portugal:
Molecular modelling study of changes induced by netropsin binding to nucleosome core particles. Nucleic Acids Res. 18(13): 3731-3737 (1990)
Coauthor Index
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