Mining Association rule with Attribute Oriented Induction High level Emerging Pattern (AOI-HEP) data mining technique

Accelerating Drugs Discovery with Deep Reinforcement Learning: An Early Approach

Increasing Molecular Dynamics Simulations Throughput by Virtualizing Remote GPUs with rCUDA

Implementation of an Efficient Blind Docking Technique on HPC Architectures for the Discovery of Allosteric Inhibitors

Parallel Desolvation Energy Term Calculation for Blind Docking on GPU Architectures

The Forex Market as an Elastic Network Model

Cribado virtual mediante un algoritmo evolutivo global paralelo

Técnicas heurísticas paralelas para el descubrimiento de nuevos fármacos

Quality measurement of android messaging application based on user experience in Microblogsch

Easy understanding for mining discriminant itemset with emerging patterns

Survey of emerging patterns

Multiobjective based scoring function for ligand based virtual screening

GrantFinder, a web based tool for the search of research grant calls

A hybrid machine learning and molecular modeling methodology for the prediction of novel blood anticolagulants

ZincFetcher: a tool for easy compound filtering from ZINC database

HYDROWEB, an online tool for the calculation of hydrodynamic properties of macromolecules

Fuzzy vs Kmeans clustering in QSAR data partition. A comparative study

Non-steroidal anti-inflammatory drugs as inhibitors of cyclooxygenases: what we have learned and what is next

Molecular modeling studies of thieno[3,2-c]pyran analogues as inhibitor against the anti-inflammatory target COX-2

Parallel Ant Colony Optimization for the HP Protein Folding Problem

Virtual Screening: A Challenge for Deep Learning

Multiobjective based scoring function for ligand based Virtual Screening

A GPU solution of the HP Protein Folding Problem based on UEGO

Molecular Dynamics Simulations of Ligand Recognition upon Binding Antithrombin: A MM/GBSA Approach

Improving activity prediction of Adenosine A2B receptor antagonists by machine learning methods

Support Vector Machines Prediction of drug solubility on GPUs

DIA-DB: a web-accessible database for the prediction of diabetes drugs

Molecular docking and Biological evaluation of functionalized benzo[h]quinolines as Colon cancer agents

Applications of High Performance Computing in Bioinformatics, Computational Biology and Computational Chemistry

Enhancing the parallelization of Non-Bonded Interactions Kernel for Virtual Screening on GPUs

Parallel Computation of Non-Bonded Interactions in Drug Discovery: Nvidia GPUs vs. Intel Xeon Phi

Application of parallel blind docking with BINDSURF for the study of platinum derived compounds as anticancer drugs

An Efficient Solvent Accessible Surface Area calculation applied in Ab Initio Protein Structure Prediction

An improved Fuzzy Clustering methodology applied to the study of Protein Conformational Ensembles

The role of High Performance Computing in Bioinformatics

Solving the HP Protein Folding Problem by an Evolutionary Algorithm

Modeling Tasks Synchronization in the Fault-Tolerant Cyber-Physical Systems

Optimizations to enhance sustainability of MPI applications

Impact of implicit solvation models on database enrichment in GPU based blind Virtual Screening

A GPU based Conformational Entropy Calculation Method

Improving Drug Discovery using a neural networks based parallel scoring function

Improvement of Virtual Screening predictions using Support Vector Machines

A GPU based Volunteer Computing Platform for the discovery of bioactive compounds

Application of Ant Colony Optimization in an hybrid coarse-grained and all-atom based Protein Structure prediction strategy

Parallelization of Virtual Screening in Drug Discovery on Massively Parallel Architectures

Analytical solvent accessible surface area calculation on GPUs

Parallel blind Virtual Screening with implicit solvation models

Effective Non-Bonded Interactions Kernel for Virtual Screening on emergent parallel architectures

Accelerating Grid Kernels for Virtual Screening on Graphics Processing Units

A Pipeline Pilot based SOAP implementation of FlexScreen for High-Throughput Virtual Screening

Accelerating multiple target drug screening on GPUs

BINDSURF: a fast blind Virtual Screening methodology on GPUs

MURCIA: Fast parallel solvent accessible surface area calculation on GPUs and application to drug discovery and molecular visualization

Implementation of an effective non-bonded interactions kernel for biomolecular simulations on the Cell processor

High Throughput in-silico Screening against flexible protein receptors

Receptor specific forcefield: improving classical forcefields with quantum mechanical calculations