The University of Southampton
University of Southampton Institutional Repository

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).

Record type: Conference or Workshop Item (Paper)


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.

PDF 158.pdf - Other
Download (158kB)

More information

Published date: 2004
Venue - Dates: UK e-Science All Hands Meeting, 2004-09-06 - 2004-09-06


Local EPrints ID: 15881
ISBN: 1904425216
PURE UUID: e79b0830-fd5d-4b86-89cb-ba575ac5d05a
ORCID for J.G. Frey: ORCID iD
ORCID for J.W. Essex: ORCID iD

Catalogue record

Date deposited: 07 Jun 2005
Last modified: 17 Jul 2017 16:44

Export record


Author: C.J. Woods
Author: J.G. Frey ORCID iD
Author: J.W. Essex ORCID iD
Editor: S. Cox

University divisions

Download statistics

Downloads from ePrints over the past year. Other digital versions may also be available to download e.g. from the publisher's website.

View more statistics

Atom RSS 1.0 RSS 2.0

Contact ePrints Soton:

ePrints Soton supports OAI 2.0 with a base URL of

This repository has been built using EPrints software, developed at the University of Southampton, but available to everyone to use.

We use cookies to ensure that we give you the best experience on our website. If you continue without changing your settings, we will assume that you are happy to receive cookies on the University of Southampton website.