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Shape: automatic conformation prediction of carbohydrates using a genetic algorithm

scientific article (publication date: 21 September 2009)

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Shape: automatic conformation prediction of carbohydrates using a genetic algorithm (English)

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Jimmy Rosen

1

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Laurence Miguet

series ordinal

2

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Serge Pérez

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3

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English

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publication date

21 September 2009

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published in

Journal of Cheminformatics

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volume

1

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issue

1

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page(s)

16

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copyright license

Creative Commons Attribution 2.0 Generic

start time

21 September 2009

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Creative Commons Attribution 2.0 Generic

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copyrighted

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The conformations of the O-specific polysaccharides of Shigella dysenteriae type 4 and Escherichia coli O159 studied with molecular mechanics (MM3) filtered systematic search

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Conformational analysis of complex oligosaccharides: the CICADA approach to the uromodulin O-glycans

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Ab initio protein fold prediction using evolutionary algorithms: influence of design and control parameters on performance.

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Dynamic molecules: molecular dynamics for everyone. An internet-based access to molecular dynamic simulations: basic concepts.

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Conformation of the branched O-specific polysaccharide of Shigella dysenteriae type 2: molecular mechanics calculations show a compact helical structure exposing an epitope which potentially mimics galabiose

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The use of a genetic algorithm search for molecular mechanics (MM3)-based conformational analysis of oligosaccharides

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Conformation of the exopolysaccharide of Burkholderia cepacia predicted with molecular mechanics (MM3) using genetic algorithm search

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Conformational analysis and flexibility of carbohydrates using the CICADA approach with MM3

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Molecular mechanics. The MM3 force field for hydrocarbons. 3. The van der Waals' potentials and crystal data for aliphatic and aromatic hydrocarbons

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A comparison and chemometric analysis of several molecular mechanics force fields and parameter sets applied to carbohydrates

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Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function

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Identifiers

DOI

10.1186/1758-2946-1-16

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DBLP publication ID

journals/jcheminf/RosenMP09

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DBLP Dataset 2021-01-02

retrieved

28 January 2021

Dimensions Publication ID

1043236359

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PMC publication ID

2820494

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PubMed publication ID

20298520

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ResearchGate publication ID

42344105

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(Q27998696)

Shape: automatic conformation prediction of carbohydrates using a genetic algorithm

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