Fast, constraint-based threading of HP-sequences to hydrophobic cores

Rolf Backofen, Sebastian Will

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

Lattice protein models are used for hierarchical approaches to protein structure prediction, as well as for investigating principles of protein folding. So far, one has the problem that there exists no lattice that can model real protein conformations with good quality and for which an efficient method to find native conformations is known. We present the first method for the FCC-HP-Model [3] that is capable of finding native conformations for real-sized HP-sequences. It has been shown [23] that the FCC lattice can model real protein conformations with coordinate root mean square deviation below 2 Å. Our method uses a constraint-based approach. It works by first calculating maximally compact sets of points (hydrophobic cores), and then threading the given HP-sequence to the hydrophobic cores such that the core is occupied by H-monomers.

Original languageEnglish
Title of host publicationPrinciples and Practice of Constraint Programming - CP 2001 - 7th International Conference, CP 2001, Proceedings
EditorsToby Walsh
PublisherSpringer Verlag
Pages494-508
Number of pages15
ISBN (Print)3540428631, 9783540428633
DOIs
Publication statusPublished - 1 Jan 2001
Externally publishedYes
Event7th International Conference on Principles and Practice of Constraint Programming, CP 2001 - Paphos, Cyprus
Duration: 26 Nov 20011 Dec 2001

Publication series

NameLecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
Volume2239
ISSN (Print)0302-9743
ISSN (Electronic)1611-3349

Conference

Conference7th International Conference on Principles and Practice of Constraint Programming, CP 2001
Country/TerritoryCyprus
CityPaphos
Period26/11/011/12/01

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