New Generation Computing, 23(2005)277-290
Ohmsha, Ltd. and Springer

A Framework for Protein Structure Prediction on the Grid

Eduardo HUEDO*1, Ugo BASTOLLA*1, Rubén S. MONTERO*2
and Ignacio M. LLORENTE*2,*1
*1 Centro de Astrobiologia (CSIC-INTA)
28850 Torrejón de Ardoz, Spain
*2 Dpto. de Arquitectura de Computadores y Automática
Universidad Complutense, 28040 Madrid, Spain
*1 {huedoce,bastollau}@inta.es
*2 {rubensm,llorente}@dacya.ucm.es

Received 10 November 2003
Revised manuscript received 25 May 2004

Abstract

The large number of protein sequences, provided by genomic projects at an increasing pace, constitutes a challenge for large scale computational studies of protein structure and thermodynamics. Grid technology is very suitable to face this challenge, since it provides a way to access the resources needed in compute and data intensive applications. In this paper, we show the procedure to adapt to the Grid an algorithm for the prediction of protein thermodynamics, using the GridWay tool. GridWay allows the resolution of large computational experiments by reacting to events dynamically generated by both the Grid and the application.

Keywords:Bioinformatics, Grid Technology, Adaptive Scheduling and Execution.

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