Name
Title | ||
|---|---|---|
A conceptual many tasks computing architecture to execute molecular docking simulations of a fully-flexible receptor model |
Abstract | ||
|---|---|---|
Molecular docking simulations of Fully-flexible Protein Receptor (FFR) models are coming of age. However, it demands High Performance Computing (HPC) for its executions and generates huge amounts of data that needs to be analyzed. Distributed HPC systems and scientific workflows are routinely applied to execute compute intensive tasks and to manage data flow. In this work we propose a conceptual Many Tasks Computing architecture to execute molecular docking simulations of FFR models to small molecules in distributed HPC environments. |
Year | DOI | Venue |
|---|---|---|
2011 | 10.1007/978-3-642-22825-4_11 | BSB |
Keywords | Field | DocType |
hpc system,fully-flexible receptor model,intensive task,fully-flexible protein receptor,high performance computing,ffr model,huge amount,hpc environment,data flow,tasks computing architecture,molecular docking simulation | Docking (molecular),Supercomputer,Computer science,Computing architecture,Bioinformatics,Workflow,Data flow diagram | Conference |
Volume | ISSN | Citations |
6832 | 0302-9743 | 0 |
PageRank | References | Authors |
0.34 | 3 | 4 |
Name | Order | Citations | PageRank |
|---|---|---|---|
| Renata De Paris | 1 | 11 | 2.59 |
| Fábio A. Frantz | 2 | 0 | 0.34 |
| Osmar Norberto de Souza | 3 | 77 | 10.95 |
| Duncan Dubugras Alcoba Ruiz | 4 | 146 | 15.54 |