Parallel computation of solvent accessible surface area of protein molecules

E. Suh, B. K. Lee, R. Martino, B. Narahari, Alok Nidhi Choudhary

Research output: Chapter in Book/Report/Conference proceedingConference contribution

5 Scopus citations

Abstract

The paper presents a parallel algorithm for computation of solvent accessible surface area of a molecule according to the Lee and Richards's (1971) algorithm. The efficient parallelization of this process is crucial in dynamic simulations of protein molecules and protein folding studies. The solvent accessible surface area (ASA) problem exhibits inherent parallelism that is exploited in the design of a parallel program which is implemented on an Intel iPSC machine. The performance of the parallel algorithm is enhanced by a dynamic load balancing scheme. The authors report on experiments performed on a set of protein structures.

Original languageEnglish (US)
Title of host publicationProceedings of 7th International Parallel Processing Symposium, IPPS 1993
PublisherInstitute of Electrical and Electronics Engineers Inc.
Pages685-689
Number of pages5
ISBN (Electronic)0818634421, 9780818634420
DOIs
StatePublished - Jan 1 1993
Event7th International Parallel Processing Symposium, IPPS 1993 - Newport, United States
Duration: Apr 13 1993Apr 16 1993

Publication series

NameProceedings of 7th International Parallel Processing Symposium, IPPS 1993

Conference

Conference7th International Parallel Processing Symposium, IPPS 1993
CountryUnited States
CityNewport
Period4/13/934/16/93

ASJC Scopus subject areas

  • Computer Science Applications
  • Hardware and Architecture
  • Software
  • Computational Theory and Mathematics
  • Computer Networks and Communications

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