Universidade Federal do Rio de Janeiro COPPE

Instituto Alberto Luiz Coimbra de Pós-Graduação e Pesquisa de Engenharia

Instituto de Matemática

 
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Evento: 'Palestra do Prof. Antonio Mucherino'

Eventos PESC (Palestras, Seminários, etc.)
Palestras, Seminários, etc. do PESC/COPPE/UFRJ.
Data: Thursday, August 25, 2011 At 10:30
Duração: 1 Dia

PALESTRA

Título: The Discretizable Molecular Distance Geometry Problem.

Conferencista: Antonio Mucherino (Professor Adjunto, Université de Rennes 1, http://www.antoniomucherino.it/)

Data: 25 de agosto de 2011 (quinta-feira)
Horário: 10h30
Local: sala H-316, Bloco H, terceiro andar, Centro de Tecnologia, UFRJ, Ilha do Fundão


Abstract
The Molecular Distance Geometry Problem (MDGP) is the problem of finding the conformation of a molecule starting from some known distances between pairs of its atoms. The MDGP is NP-hard. In its basic form, it is a constraint satisfaction problem, and it is usually reformulated as a global continuous optimization problem. In this seminar, I will discuss a discrete reformulation of the MDGP (the Discretizable MDGP) which brings to the formulation of a combinatorial optimization problem, and I will also present an efficient algorithm for its solution, that we named Branch & Prune algorithm. Recent works are devoted to the solution of instances of the problem where Nuclear Magnetic Resonance data are contained. To this aim, an artificial backbone of atoms of protein molecules has been defined which allows to discretize the whole class of MDGPs related to protein backbones.

Responsável:
Nelson Maculan
Universidade Federal do Rio de Janeiro
COPPE-Engenharia de Sistemas e Computação


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