On the solution of molecular distance geometry problems with interval data

C. Lavor; L. Liberti; A. Mucherino

doi:10.1109/BIBMW.2010.5703777

On the solution of molecular distance geometry problems with interval data

C. Lavor
, L. Liberti
, A. Mucherino

University of Campinas (UNICAMP)
CERFACS

Résultats de recherche: Le chapitre dans un livre, un rapport, une anthologie ou une collection › Contribution à une conférence › Revue par des pairs

Résumé

The Molecular Distance Geometry Problem consists in finding the three-dimensional conformation of a protein using some of the distances between its atoms provided by experiments of Nuclear Magnetic Resonance. This is a continuous search problem that can be discretized under some assumptions on the known distances. We discuss the case where some of the distances are subject to uncertainty within a given nonnegative interval. We show that a discretization is still possible and propose an algorithm to solve the problem. Computational experiments on a set of artificially generated instances are presented.

langue originale	Anglais
titre	2010 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2010
Editeur	IEEE Computer Society
Pages	77-82
Nombre de pages	6
ISBN (imprimé)	9781424483044
Les DOIs	https://doi.org/10.1109/BIBMW.2010.5703777
état	Publié - 1 janv. 2010

Série de publications

Nom	2010 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2010

Accès au document

10.1109/BIBMW.2010.5703777

Contient cette citation

Lavor, C., Liberti, L., & Mucherino, A. (2010). On the solution of molecular distance geometry problems with interval data. Dans 2010 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2010 (p. 77-82). Article 5703777 (2010 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2010). IEEE Computer Society. https://doi.org/10.1109/BIBMW.2010.5703777

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title = "On the solution of molecular distance geometry problems with interval data",

abstract = "The Molecular Distance Geometry Problem consists in finding the three-dimensional conformation of a protein using some of the distances between its atoms provided by experiments of Nuclear Magnetic Resonance. This is a continuous search problem that can be discretized under some assumptions on the known distances. We discuss the case where some of the distances are subject to uncertainty within a given nonnegative interval. We show that a discretization is still possible and propose an algorithm to solve the problem. Computational experiments on a set of artificially generated instances are presented.",

author = "C. Lavor and L. Liberti and A. Mucherino",

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doi = "10.1109/BIBMW.2010.5703777",

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Lavor, C, Liberti, L & Mucherino, A 2010, On the solution of molecular distance geometry problems with interval data. Dans 2010 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2010., 5703777, 2010 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2010, IEEE Computer Society, p. 77-82. https://doi.org/10.1109/BIBMW.2010.5703777

On the solution of molecular distance geometry problems with interval data. / Lavor, C.; Liberti, L.; Mucherino, A.
2010 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2010. IEEE Computer Society, 2010. p. 77-82 5703777 (2010 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2010).

Résultats de recherche: Le chapitre dans un livre, un rapport, une anthologie ou une collection › Contribution à une conférence › Revue par des pairs

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N2 - The Molecular Distance Geometry Problem consists in finding the three-dimensional conformation of a protein using some of the distances between its atoms provided by experiments of Nuclear Magnetic Resonance. This is a continuous search problem that can be discretized under some assumptions on the known distances. We discuss the case where some of the distances are subject to uncertainty within a given nonnegative interval. We show that a discretization is still possible and propose an algorithm to solve the problem. Computational experiments on a set of artificially generated instances are presented.

AB - The Molecular Distance Geometry Problem consists in finding the three-dimensional conformation of a protein using some of the distances between its atoms provided by experiments of Nuclear Magnetic Resonance. This is a continuous search problem that can be discretized under some assumptions on the known distances. We discuss the case where some of the distances are subject to uncertainty within a given nonnegative interval. We show that a discretization is still possible and propose an algorithm to solve the problem. Computational experiments on a set of artificially generated instances are presented.

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Lavor C, Liberti L, Mucherino A. On the solution of molecular distance geometry problems with interval data. Dans 2010 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2010. IEEE Computer Society. 2010. p. 77-82. 5703777. (2010 IEEE International Conference on Bioinformatics and Biomedicine Workshops, BIBMW 2010). doi: 10.1109/BIBMW.2010.5703777

On the solution of molecular distance geometry problems with interval data

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