Juan Jesús Pérez

Publication Activity (10 Years)

Years Active: 1990-2024
Publications (10 Years): 8

Top Topics

Chemical Structures

Severe Acute Respiratory Syndrome

Protein Structure

Molecular Dynamics

Top Venues

J. Chem. Inf. Model.

Comput. Biol. Medicine

J. Comput. Aided Mol. Des.

Publications

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 (2024)
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) (2023)
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) (2023)
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) (2021)
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) (2020)
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) (2017)
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) (2016)
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) (2016)
Marta Pinto, Maria del Mar Orzaez, Laura Delgado-Soler, Juan Jesús Pérez, Jaime Rubio-Martinez
Protein. J. Chem. Inf. Model. 51 (6) (2011)
Leonard Jaillet, Francesc Corcho, Juan Jesús Pérez, Juan Cortés
Randomized tree construction algorithm to explore energy landscapes. J. Comput. Chem. 32 (16) (2011)
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) (2008)
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) (2007)
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) (2007)
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) (2004)
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) (2004)
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) (1999)
Nuria B. Centeno, Juan Jesús Pérez
A proposed bioactive conformation of Peptide T. J. Comput. Aided Mol. Des. 12 (1) (1998)
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) (1998)
Ibon Alkorta, Hugo O. Villar, Juan Jesús Pérez
receptor. J. Comput. Chem. 14 (5) (1993)
Carlos Alemán, Juan Jesús Pérez
SCF-MO study of the polyglycine II structure. J. Comput. Aided Mol. Des. 7 (2) (1993)
Juan Jesús Pérez, J. Portugal
Molecular modelling study of changes induced by netropsin binding to nucleosome core particles. Nucleic Acids Res. 18 (13) (1990)