The Application of Distributed Computing to the Investigation of Protein Conformational Change


Woods, C.J., Frey, J.G. and Essex, J.W., (2004) The Application of Distributed Computing to the Investigation of Protein Conformational Change Cox, S. (ed.) In Proceedings of the UK e-Science All Hands Meeting, Sep 2003. EPSRC., (6pp).

Download

[img] PDF 158.pdf - Other
Download (158kB)

Description/Abstract

Distributed computing is a potentially very powerful approach for accessing large amounts of computational power. Under the umbrella of the comb-e-chem project we have examined distributed computing software and applied it to the problem of investigating protein conformational change. These investigations required the development of protein simulations that were suited to distributed computing. Each simulation was split into many coupled, parallel parts. These proved challenging to schedule on the flexible and unreliable distributed computing resource. Scheduling algorithms were thus written that identified which parts of the simulation were likely to impact the overall efficiency. These parts were then rescheduled to be ‘caught-up’ via a fast and dedicated cluster.

Item Type: Conference or Workshop Item (Paper)
ISBNs: 1904425216 (print)
Venue - Dates: UK e-Science All Hands Meeting, 2004-09-06 - 2004-09-06
Related URLs:
Subjects: Q Science > QD Chemistry
ePrint ID: 15881
Date :
Date Event
2004Published
Date Deposited: 07 Jun 2005
Last Modified: 22 Feb 2017 00:46
Further Information:Google Scholar
URI: http://eprints.soton.ac.uk/id/eprint/15881

Actions (login required)

View Item View Item