Optimal pathway reconstruction on 3D NMR maps (Articolo in rivista)

Type

• Articolo in rivista (Classe)
• Prodotto della ricerca (Classe)

Label

• Optimal pathway reconstruction on 3D NMR maps (Articolo in rivista) (literal)

Anno

• 2014-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

• 10.1016/j.dam.2014.04.010 (literal)

Alternative label

• Szachniuk M.; De Cola M.C.; Felici G.; de Werra D.; Blazewicz J. (2014)
  Optimal pathway reconstruction on 3D NMR maps
  in Discrete applied mathematics
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Szachniuk M.; De Cola M.C.; Felici G.; de Werra D.; Blazewicz J. (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url

• http://www.scopus.com/inward/record.url?eid=2-s2.0-84899040971&partnerID=q2rCbXpz (literal)

Rivista

• Discrete applied mathematics (Rivista)

Note

• Scopu (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• Institute of Computing Science, Poznan University of Technology, Piotrowo 2, 60-965 Poznan, Poland; Department of Statistics, University of Rome La Sapienza, P.le Aldo Moro 5, 00185 Rome, Italy; IRCCS Centro Neurolesi Bonino Pulejo, S.S. 113 Via Palermo c/da Casazza, 98123 Messina, Italy; Institute of Systems Analysis and Computer Science A. Ruberti, National Research Council, Viale Manzoni 30, 00185 Rome, Italy; Ecole Polytechnique Federale de Lausanne, CH-1015 Lausanne, Switzerland; Institute of Bioorganic Chemistry, PAS, Noskowskiego 12/14, 61-704 Poznan, Poland (literal)

Titolo

• Optimal pathway reconstruction on 3D NMR maps (literal)

Abstract

• A three-dimensional Nuclear Magnetic Resonance (NMR) map displays the results of NMR experiments, that allow to determine the shape of a biological molecule. Shape calculation starts from a reconstruction of a sequence of NMR signals, which is equivalent to finding a specific path in a graph representation of the problem. Let G = (V, E) be a graph that models the interactions reflected on an NMR map. Its edges are colored with c colors, where each color corresponds to one of c different relationships between the signals. The sequence of interactions under consideration is represented using a concept of an orderly colored path in the c-edge-colored graph. In this paper, we consider the problem of finding the required arrangement of NMR signals on the 3D map and we present its graph representation. We discuss the computational complexity of the problem, we consider its two alternative integer programming models, and evaluate the performance of an optimization algorithm based on the solution of their relaxation combined with the separation of fractional cycles in a Branch & Cut scheme. © 2014 Elsevier B.V. All rights reserved. (literal)

Prodotto di

• Data Mining, Identificazione e Stima per Sistemi Complessi (ICT.P11.004.001) (Modulo)
• Istituto di analisi dei sistemi ed informatica \"Antonio Ruberti\" (IASI) (Istituto)

Autore CNR

• GIOVANNI FELICI (Unità di personale interno)

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• Parole chiave di "Optimal pathway reconstruction on 3D NMR maps" (Insieme di parole chiave)

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Autore CNR di

• GIOVANNI FELICI (Unità di personale interno)

Prodotto

• Istituto di analisi dei sistemi ed informatica \"Antonio Ruberti\" (IASI) (Istituto)
• Data Mining, Identificazione e Stima per Sistemi Complessi (ICT.P11.004.001) (Modulo)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• Discrete applied mathematics (Rivista)

Insieme di parole chiave di

• Parole chiave di "Optimal pathway reconstruction on 3D NMR maps" (Insieme di parole chiave)