Juan Jesús Pérez

21 papers Journal 21

Year	Rank	Type	Title / Venue / Authors
2024	J	`jnl`	The Discovery of inhibitors of the SARS-CoV-2 S protein through computational drug repurposing. Comput. Biol. Medicine Ana Isabel Avilés-Alía, Joao Zulaica, Juan Jesús Pérez, Jaime Rubio-Martinez, Ron Geller, José M. Granadino-Roldán
2023	J	`jnl`	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. Guillem Vila-Julià, Juan Jesús Pérez, Jaime Rubio-Martinez
2023	J	`jnl`	Discovery of Hit Compounds Targeting the P4 Allosteric Site of K-RAS, Identified through Ensemble-Based Virtual Screening. J. Chem. Inf. Model. Patricia Gómez-Gutiérrez, Jaime Rubio-Martinez, Juan Jesús Pérez
2021	J	`jnl`	Discovery of Diverse Natural Products as Inhibitors of SARS-CoV-2 Mpro Protease through Virtual Screening. J. Chem. Inf. Model. 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
2020	J	`jnl`	Molecular Determinants for the Activation/Inhibition of Bak Protein by BH3 Peptides. J. Chem. Inf. Model. Guillem Vila-Julià, José M. Granadino-Roldán, Juan Jesús Pérez, Jaime Rubio-Martinez
2017	J	`jnl`	Identification of Potential Small Molecule Binding Pockets in p38α MAP Kinase. J. Chem. Inf. Model. Patricia Gómez-Gutiérrez, Jaime Rubio-Martinez, Juan Jesús Pérez
2016	J	`jnl`	Assessment of the Sampling Performance of Multiple-Copy Dynamics versus a Unique Trajectory. J. Chem. Inf. Model. Juan Jesús Pérez, Maria Santos Tomás, Jaime Rubio-Martinez
2016	J	`jnl`	New insights into the stereochemical requirements of the bradykinin B2 receptor antagonists binding. J. Comput. Aided Mol. Des. Cecylia S. Lupala, Patricia Gómez-Gutiérrez, Juan Jesús Pérez
2011	J	`jnl`	Randomized tree construction algorithm to explore energy landscapes. J. Comput. Chem. Leonard Jaillet, Francesc Corcho, Juan Jesús Pérez, Juan Cortés
2011	J	`jnl`	Rational Design of New Class of BH3-Mimetics As Inhibitors of the Bcl-x J. Chem. Inf. Model. Marta Pinto, Maria del Mar Orzaez, Laura Delgado-Soler, Juan Jesús Pérez, Jaime Rubio-Martinez
2008	J	`jnl`	Complete maps of molecular-loop conformational spaces. J. Comput. Chem. Josep M. Porta, Lluís Ros, Federico Thomas, Francesc Corcho, Josep Cantó, Juan Jesús Pérez
2007	J	`jnl`	Complete maps of molecular-loop conformational spaces. J. Comput. Chem. Josep M. Porta, Lluís Ros, Federico Thomas, Francesc Corcho, Josep Cantó, Juan Jesús Pérez
2007	J	`jnl`	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. Arnau Cordomí, Olle Edholm, Juan Jesús Pérez
2004	J	`jnl`	Comparative analysis of the conformational profile of substance P using simulated annealing and molecular dynamics. J. Comput. Chem. Francesc Corcho, Josep Cantó, Juan Jesús Pérez
2004	J	`jnl`	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. Marta Pinto, Juan Jesús Pérez, Jaime Rubio-Martinez
1999	J	`jnl`	Molecular modeling study of the differential ligand-receptor interaction at the µ, delta and kappa opioid receptors. J. Comput. Aided Mol. Des. Marta Filizola, Maria Cartenì-Farina, Juan Jesús Pérez
1998	J	`jnl`	A proposed bioactive conformation of Peptide T. J. Comput. Aided Mol. Des. Nuria B. Centeno, Juan Jesús Pérez
1998	J	`jnl`	BUNDLE: A program for building the transmembrane domains of G-protein-coupled receptors. J. Comput. Aided Mol. Des. Marta Filizola, Juan Jesús Pérez, Maria Cartenì-Farina
1993	J	`jnl`	Comparison of methods to estimate the free energy of solvation: Importance in the modulation of the affinity of 3-benzazepines for the D J. Comput. Chem. Ibon Alkorta, Hugo O. Villar, Juan Jesús Pérez
1993	J	`jnl`	SCF-MO study of the polyglycine II structure. J. Comput. Aided Mol. Des. Carlos Alemán, Juan Jesús Pérez
1990	J	`jnl`	Molecular modelling study of changes induced by netropsin binding to nucleosome core particles. Nucleic Acids Res. Juan Jesús Pérez, J. Portugal