Horacio Emilio Pérez Sánchez
Orcid: 0000-0003-4468-7898
According to our database1,
Horacio Emilio Pérez Sánchez
authored at least 65 papers
between 2009 and 2024.
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Bibliography
2024
ESSENCE-Dock: A Consensus-Based Approach to Enhance Virtual Screening Enrichment in Drug Discovery.
J. Chem. Inf. Model., March, 2024
2023
2022
MultiPharm-DT: A Multi-Objective Decision Tool for Ligand-Based Virtual Screening Problems.
Informatica, 2022
SIBILA: High-performance computing and interpretable machine learning join efforts toward personalised medicine in a novel decision-making tool.
CoRR, 2022
Accelerating Big Data Analysis through LASSO-Random Forest Algorithm in QSAR Studies.
Bioinform., 2022
Increasing the Accuracy of Optipharm's Virtual Screening Predictions by Implementing Molecular Flexibility.
Proceedings of the Bioinformatics and Biomedical Engineering, 2022
Proceedings of the Computational Science and Its Applications - ICCSA 2022 Workshops, 2022
2021
Combined Structure and Ligand-Based Design of Selective Acetylcholinesterase Inhibitors.
J. Chem. Inf. Model., 2021
Bioinform., 2021
2020
Efficient GPU-based parallelization of solvation calculation for the blind docking problem.
J. Supercomput., 2020
J. Chem. Inf. Model., 2020
J. Chem. Inf. Model., 2020
Informatica, 2020
Int. J. High Perform. Comput. Appl., 2020
When will the mist clear? On the Interpretability of Machine Learning for Medical Applications: a survey.
CoRR, 2020
Appl. Soft Comput., 2020
2019
A methodology for evaluating multi-objective evolutionary feature selection for classification in the context of virtual screening.
Soft Comput., 2019
BRUSELAS: HPC Generic and Customizable Software Architecture for 3D Ligand-Based Virtual Screening of Large Molecular Databases.
J. Chem. Inf. Model., 2019
2018
Simul. Model. Pract. Theory, 2018
Int. J. High Perform. Comput. Appl., 2018
Appl. Soft Comput., 2018
Proceedings of the 47th International Conference on Parallel Processing, 2018
Increasing Molecular Dynamics Simulations Throughput by Virtualizing Remote GPUs with rCUDA.
Proceedings of the 47th International Conference on Parallel Processing, 2018
2017
The role of different sampling methods in improving biological activity prediction using deep belief network.
J. Comput. Chem., 2017
Automatic selection of molecular descriptors using random forest: Application to drug discovery.
Expert Syst. Appl., 2017
Proceedings of the 2017 International Conference on Intelligent Environments, 2017
Implementation of an Efficient Blind Docking Technique on HPC Architectures for the Discovery of Allosteric Inhibitors.
Proceedings of the 46th International Conference on Parallel Processing Workshops, 2017
Proceedings of the 46th International Conference on Parallel Processing Workshops, 2017
2016
Characterization, in Vivo Evaluation, and Molecular Modeling of Different Propofol-Cyclodextrin Complexes To Assess Their Drug Delivery Potential at the Blood-Brain Barrier Level.
J. Chem. Inf. Model., 2016
Expert Syst. Appl., 2016
Proceedings of the 10th International Conference on Practical Applications of Computational Biology & Bioinformatics, 2016
HYDROWEB, an Online Tool for the Calculation of Hydrodynamic Properties of Macromolecules.
Proceedings of the Bioinformatics and Biomedical Engineering, 2016
Proceedings of the Bioinformatics and Biomedical Engineering, 2016
2015
Supercomput. Front. Innov., 2015
PeerJ Prepr., 2015
Molecular Dynamics Simulations of Ligand Recognition upon Binding Antithrombin: A MM/GBSA Approach.
Proceedings of the Bioinformatics and Biomedical Engineering, 2015
Applications of High Performance Computing in Bioinformatics, Computational Biology and Computational Chemistry.
Proceedings of the Bioinformatics and Biomedical Engineering, 2015
Proceedings of the Bioinformatics and Biomedical Engineering, 2015
Molecular Docking and Biological Evaluation of Functionalized benzo[h]quinolines as Colon Cancer Agents.
Proceedings of the Bioinformatics and Biomedical Engineering, 2015
Enhancing the Parallelization of Non-bonded Interactions Kernel for Virtual Screening on GPUs.
Proceedings of the Bioinformatics and Biomedical Engineering, 2015
Improving Activity Prediction of Adenosine A2B Receptor Antagonists by Nonlinear Models.
Proceedings of the Bioinformatics and Biomedical Engineering, 2015
Proceedings of the Bioinformatics and Biomedical Engineering, 2015
2014
Latest advances in distributed, parallel, and graphic processing unit accelerated approaches to computational biology.
Concurr. Comput. Pract. Exp., 2014
A performance/cost model for a CUDA drug discovery application on physical and public cloud infrastructures.
Concurr. Comput. Pract. Exp., 2014
Toward energy efficiency in heterogeneous processors: findings on virtual screening methods.
Concurr. Comput. Pract. Exp., 2014
Appl. Soft Comput., 2014
Proceedings of the 21st European MPI Users' Group Meeting, 2014
Proceedings of the International Work-Conference on Bioinformatics and Biomedical Engineering, 2014
An improved Fuzzy Clustering methodology applied to the study of Protein Conformational Ensembles.
Proceedings of the International Work-Conference on Bioinformatics and Biomedical Engineering, 2014
Parallel Computation of Non-Bonded Interactions in Drug Discovery: Nvidia GPUs vs. Intel Xeon Phi.
Proceedings of the International Work-Conference on Bioinformatics and Biomedical Engineering, 2014
Application of parallel blind docking with BINDSURF for the study of platinum derived compounds as anticancer drugs.
Proceedings of the International Work-Conference on Bioinformatics and Biomedical Engineering, 2014
An Efficient Solvent Accessible Surface Area calculation applied in Ab Initio Protein Structure Prediction.
Proceedings of the International Work-Conference on Bioinformatics and Biomedical Engineering, 2014
2013
J. Chem. Inf. Model., 2013
Proceedings of the International Work-Conference on Bioinformatics and Biomedical Engineering, 2013
Impact of implicit solvation models on database enrichment in GPU based blind Virtual Screening.
Proceedings of the International Work-Conference on Bioinformatics and Biomedical Engineering, 2013
Proceedings of the 2013 International Joint Conference on Neural Networks, 2013
2012
BMC Bioinform., 2012
Parallelization of Virtual Screening in Drug Discovery on Massively Parallel Architectures.
Proceedings of the 20th Euromicro International Conference on Parallel, 2012
2011
Proceedings of the Applications, Tools and Techniques on the Road to Exascale Computing, Proceedings of the conference ParCo 2011, 31 August, 2011
Effective Parallelization of Non-bonded Interactions Kernel for Virtual Screening on GPUs.
Proceedings of the 5th International Conference on Practical Applications of Computational Biology & Bioinformatics, 2011
A Pipeline Pilot based SOAP implementation of FlexScreen for High-Throughput Virtual Screening.
Proceedings of the 3rd International Workshop on Science Gateways for Life Sciences, 2011
Proceedings of the Computational Methods in Systems Biology, 9th International Conference, 2011
2010
J. Cheminformatics, 2010
2009
Implementation of an effective non-bonded interactions kernel for biomolecular simulations on the Cell processor.
Proceedings of the 39. Jahrestagung der Gesellschaft für Informatik, Im Focus das Leben, INFORMATIK 2009, Lübeck, Germany, September 28, 2009