Horacio Emilio Pérez Sánchez

Horacio Emilio Pérez Sánchez

Grado en Ingeniería Informática

Grupos de investigación

Publicaciones

  • Parallel Implementation of Fuzzy Minimals Clustering Algorithm
  • A Comprehensive Docking and MM/GBSA Rescoring Study of Ligand Recognition upon Binding Antithrombin
  • A Performance/Cost Evaluation for a GPU-Based Drug Discovery Application on Volunteer Computing
  • A performance/cost model for a CUDA drug discovery application on physical and public cloud infrastructures
  • Accelerated Conformational Entropy Calculations using Graphic Processing Units
  • Acetylcholinesterase inhibitory assessment of isolated constituents from Salsola grandis Freitag, Vural & Adigu¨zel and molecular modeling studies on N-acetyltryptophan
  • An efficient approach for solving the HP Protein Folding Problem based on UEGO
  • Analytical Ultracentrifuga- tion: Techniques and methods
  • Application of Computational Drug Discovery Techniques for Designing New Drugs against Zika Virus
  • Automatic Selection of Molecular Descriptors using Random Forest: Application to Drug Discovery
  • BIOINFORMATICS
  • Bioinformatics and Biomedical Engineering
  • Bioinformatics and Biomedical Engineering
  • Bioinformatics and Biomedical Engineering
  • Birefringence, deformation and scattering of wormlike macromolecules under an external agent. Steady-state properties in an electric field
  • Calculation of the solution properties of flexible macromolecules: methods and application
  • Captisol(R) enabled Lipophilic Drug Complex Delivered Transdermally by Iontophoresis
  • Chitosan as stabilizing agent for negatively charged nanoparticles.
  • Cuminaldehyde as the Major Component of Cuminum cyminum, a Natural Aldehyde with Inhibitory Effect on Alpha-Synuclein Fibrillation and Cytotoxicity
  • Descubrimiento de Fármacos basado en Cribado Virtual Refinado con Enfoques Neuronales Paralelos
  • Developing science gateways for drug discovery in a grid environment
  • Drug solubility Prediction with Support Vector Machines on Graphic Processor Units.
  • Effect of dry heating and ionic gum on the physicochemical and release properties of starch from Dioscorea.
  • Effect of inclusion of hydroxycinnamic and chlorogenic acids from green coffee bean in ß-cyclodextrin on their interactions with whey, egg white and soy protein isolates
  • Enhanced Zn2+ Ion–Sensing By a Benzothiazole Derivative On Encapsulation in b-Cyclodextrin.
  • Exploitation of Massively Parallel Architectures for Drug Discovery
  • Exploiting the cyclodextrins ability for antioxidants encapsulation: A computational approach to carnosol and carnosic acid embedding
  • Fuzzy clustering as rational partition method for QSAR
  • Generalized Baum-Welch Algorithm Based on The Similarity Between Sequences
  • Hantzsch-Type Dihydropyridines and Biginelli-Type Tetra- hydropyrimidines: A Review of their Chemotherapeutic Activities
  • Hepatoprotective activity of chrysin is mediated through TNF-a in chemically induced acute liver damage: An in vivo study and molecular modeling
  • Hepatoprotective activity of chrysin is mediated through TNF-alfa in chemically-induced acute liver damage: An in vivo study and molecular modeling
  • High Performance Computing in Drug Discovery
  • High-Performance Computing and Big Data in Omics-Based Medicine
  • High-Throughput parallel blind Virtual Screening using BINDSURF
  • Identification of an Allosteric Binding Site on Human Lysosomal Alpha-Galactosidase Opens the Way to New Pharmacological Chaperones for Fabry Disease
  • Improvement of Virtual Screening predictions using Computational Intelligence methods
  • Improving Drug Discovery using Hybrid Softcomputing Methods
  • In vitro modulatory effects of functionalized pyrimidines and piperidine derivatives on Aryl hydrocarbon receptor (AhR) and glucocorticoid receptor (GR) activities
  • In Vivo Evaluation and Molecular Modeling of Different Propofol-Cyclodextrin Complexes to Assess Their Drug Delivery Potential at The Blood-Brain Barrier Level
  • In-silico discovery of a compound with nanomolar affinity to antithrombin causing partial activation and increased heparin affinity
  • Influence of field strength and flexibility on the transient electric birefringence of segmentally flexible macromolecules
  • Kerr constant of multi-subunit particles and semiflexible, wormlike chains
  • L-Type Ca2+ Channels and SK Channels in Mouse Embryonic Stem Cells and Their Contribution to Cell Proliferation
  • Labelling Herceptin with a novel oxaliplatin derivative: a computational approach towards the selective drug delivery
  • Labelling Herceptin with a novel oxaliplatin derivative: A computational approach towards the selective drug delivery
  • Latest Advances in Distributed, Parallel, and GPU-Accelerated approaches to Computational Biology
  • Latest QSAR study of adenosine A2B receptor affinity of xanthines and deazaxanthines
  • Ligand induced change of ß2 adrenergic receptor from active to inactive conformation and its implication for the closed/open state of the water channel: insight from molecular dynamics simulation, free energy calculation and Markov state model analysis
  • Managing, Analysing and Integrating Big Data in medical bioinformatics: open problems and future perspectives
  • METADOCK: A Parallel Metaheuristic schema for Virtual Screening methods
  • METADOCK: A parallel metaheuristic schema for virtual screening methods
  • Molecular and Colloidal Electro-optics
  • Molecular recognition of aromatic carboxylic acids by hydroxypropyl-¿-cyclodextrin: experimental and theoretical evidence
  • MULTIHYDRO and MONTEHYDRO: Conformational search and Monte Carlo calculation of solution properties of rigid or flexible bead models
  • New arylated benzo[h]quinolines induce anti-cancer activity by oxidative stress-mediated DNA damage.
  • Optimization methods for virtual screening on novel computational architectures
  • Organization of human interferon gamma heparin complexes from solution properties and hydrodynamics
  • Physicochemical and Thermodynamic Characterization of the Encapsulation of Methyl Jasmonate by Natural and Modified Cyclodextrins Using Reversed-Phase High-Pressure Liquid Chromatography
  • Plant plasma membrane aquaporins in natural vesicles as potential stabilizers and carriers of glucosinolates
  • Sedative-hypnotic-like effect and molecular docking of di-naphthodiospyrol from Diospyros lotus in an animal model.
  • Selective in vitro and in silico butyrylcholinesterase inhibitory activity of diterpenes and rosmarinic acid isolated from Perovskia atriplicifolia Benth. and Salvia glutinosa L.
  • SIMUFLEX: Algorithms and tools for simulation of the conformation and dynamics of flexible molecules and nanoparticles in dilute solution
  • Soft Computing Techniques for the Protein Folding Problem on High Performance Computing Architectures.
  • Structural grounds for the 2-aminopurine mutagenicity: a novel insight into the old problem of the replication errors
  • Structure guided design and binding analysis of EGFR inhibiting analogues of erlotinib and AEE788 using ensemble docking, molecular dynamics and MM-GBSA
  • The inhibitory effects of bioactive compounds of tomato juice binding to hepatic HMGCR: in vivo study and molecular modelling
  • The Need for an Integrated Computational/Experimental Approach in the Discovery and Design of New Drugs
  • The role of different sampling methods in improving biological activity prediction using deep belief network
  • Toward energy efficiency in heterogeneous processors: findings on virtual screening methods
  • Transient electric birefringence of wormlike macromolecules in electric fields of arbitrary strength: A computer simulation study
  • Use of cyclodextrins to recover catechin and epicatechin from red grape pomace
  • Virtual Screening
  • Whether 2-aminopurine induces incorporation errors at the DNA replication? A quantum-mechanical answer on the actual biological issue
  • Whether the amino-imino tautomerism of 2- aminopurine is involved into its mutagenicity? Results of a thorough QM investigation
  • “A comparative studies on the inhibitory activities of selected benzoic acid derivatives against secretory phospholipase A2, a key enzyme involved in the inflammatory pathway
  • “Application of Modern Drug Discovery Techniques in the Context of Diabetes Mellitus and Atherosclerosis

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