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Parallel CUDA-based protein 3D structure similarity searching

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

Abstract

Finding common molecular substructures in complex 3D protein structures is still challenging. This is especially visible when scanning entire databases containing tens or even hundreds of thousands protein structures. Graphics processing units (GPUs) and general purpose graphics processing units (GPGPUs) promise to give a high speedup of many time-consuming and computationally demanding processes over their original implementations on CPUs. In this chapter, we will see that a massive parallelization of the 3D structure similarity searching on many core CUDA-enabled GPU devices leads to reduction of the execution time of the process and allows to perform it in real time.

Original languageEnglish
Title of host publicationSpringerBriefs in Computer Science
PublisherSpringer
Pages49-79
Number of pages31
Edition9783319069708
DOIs
Publication statusPublished - 2014

Publication series

NameSpringerBriefs in Computer Science
Number9783319069708
Volume0
ISSN (Print)2191-5768
ISSN (Electronic)2191-5776

Keywords

  • 3D protein structure
  • CUDA
  • GPU
  • Parallel computing
  • Proteins
  • Similarity searching
  • Structure alignment
  • Structure comparison
  • Structure matching
  • Tertiary structure

ASJC Scopus subject areas

  • General Computer Science

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