The paper describes the formalization and implementation of an efficient constraint programming framework operating on 3D crystal lattices. The framework is motivated and applied to address the problem of solving the ab-initio protein structure prediction problem—i.e., predicting the 3D structure of a protein from its amino acid sequence. Experimental results demonstrate that our novel approach offers up to a 3 orders of magnitude of speedup compared to other constraint-based solutions proposed for the problem at hand.
A New Constraint Solver for 3D Lattices and its Application to the Protein Folding Problem / DAL PALU', Alessandro; A., Dovier; E., Pontelli. - LNCS 3835:(2005), pp. 48-63. (Intervento presentato al convegno LPAR 2005 tenutosi a Montego Bay, Jamaica nel 2-6 Dec 2005) [10.1007/11591191_5].
A New Constraint Solver for 3D Lattices and its Application to the Protein Folding Problem
DAL PALU', Alessandro;
2005-01-01
Abstract
The paper describes the formalization and implementation of an efficient constraint programming framework operating on 3D crystal lattices. The framework is motivated and applied to address the problem of solving the ab-initio protein structure prediction problem—i.e., predicting the 3D structure of a protein from its amino acid sequence. Experimental results demonstrate that our novel approach offers up to a 3 orders of magnitude of speedup compared to other constraint-based solutions proposed for the problem at hand.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.