Investigation of the conformational properties of a β-(1 → 3) branched β-(1 → 6) heptasaccharide elicitor and its analogues by internal coordinate stochastic dynamics. Petukhov, M., Mazur, A., & Elyakova, L. Carbohydrate Research, 279(C):41-57, 1995. cited By 3
Investigation of the conformational properties of a β-(1 → 3) branched β-(1 → 6) heptasaccharide elicitor and its analogues by internal coordinate stochastic dynamics [link]Paper  doi  abstract   bibtex   
A series of β-(1 → 3) branched β-(1 → 6) oligosaccharides that are known to take part in switching immune reactions in plants was studied by a molecular dynamics approach. A novel technique was applied which recently proved to be very efficient in polypeptide simulations. Molecular dynamics is simulated in internal rather than Cartesian coordinates with dramatically reduced numbers of degrees of freedom and a time step ten-fold larger than usual values. Comparison and classification of most populated conformational states revealed a few conformational motifs that are frequently adopted by highly active oligosaccharides and are not populated in an inactive analogue. As a result a putative biologically active conformation of the oligosaccharides is proposed. © 1995.
@ARTICLE{Petukhov199541,
author={Petukhov, M.G. and Mazur, A.K. and Elyakova, L.A.},
title={Investigation of the conformational properties of a β-(1 → 3) branched β-(1 → 6) heptasaccharide elicitor and its analogues by internal coordinate stochastic dynamics},
journal={Carbohydrate Research},
year={1995},
volume={279},
number={C},
pages={41-57},
doi={10.1016/0008-6215(95)00277-4},
note={cited By 3},
url={https://www.scopus.com/inward/record.uri?eid=2-s2.0-0029562237&doi=10.1016%2f0008-6215%2895%2900277-4&partnerID=40&md5=241bb6542b1e89256b00245238e27e83},
affiliation={Pacific Institute of Bioorganic Chemistry, The Russian Academy of Sciences, 690022 Vladivostok, Russian Federation},
abstract={A series of β-(1 → 3) branched β-(1 → 6) oligosaccharides that are known to take part in switching immune reactions in plants was studied by a molecular dynamics approach. A novel technique was applied which recently proved to be very efficient in polypeptide simulations. Molecular dynamics is simulated in internal rather than Cartesian coordinates with dramatically reduced numbers of degrees of freedom and a time step ten-fold larger than usual values. Comparison and classification of most populated conformational states revealed a few conformational motifs that are frequently adopted by highly active oligosaccharides and are not populated in an inactive analogue. As a result a putative biologically active conformation of the oligosaccharides is proposed. © 1995.},
author_keywords={Branched oligosaccharides;  Conformational states;  Internal coordinate stochastic dynamics},
correspondence_address1={Petukhov, M.G.; Pacific Institute of Bioorganic Chemistry, The Russian Academy of Sciences, 690022 Vladivostok, Russian Federation},
issn={00086215},
coden={CRBRA},
pubmed_id={8593632},
language={English},
abbrev_source_title={Carbohydr. Res.},
document_type={Article},
source={Scopus},
}

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