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A Filtering Technique for Fragment Assembly-based Proteins Loop Modeling with Constraints.

CAMPEOTTO, Federico
•
DOVIER, Agostino
•
FIORETTO, Ferdinando
altro
E. Pontelli
2012
  • conference object

Periodico
LECTURE NOTES IN COMPUTER SCIENCE
Abstract
Methods to predict the structure of a protein often rely on the knowledge of macro sub-structures and their exact or approximated relative positions in space. The parts connecting these sub-structures are called loops and, in general, they are characterized by a high degree of freedom. The modeling of loops is a critical problem in predicting protein conformations that are biologically realistic. This paper introduces a class of constraints that models a general multi-body system; we present a proof of NP-completeness and provide filtering techniques, inspired by inverse kinematics, that can drastically reduce the search space of potential conformations. The paper shows the application of the constraint in solving the protein loop modeling problem, based on fragments assembly.
DOI
10.1007/978-3-642-33558-7_61
Archivio
http://hdl.handle.net/11390/872030
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84868277188
Diritti
closed access
Soggetti
  • Critical problems, Fi...

Scopus© citazioni
3
Data di acquisizione
Jun 14, 2022
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Visualizzazioni
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Data di acquisizione
Apr 19, 2024
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