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'Intermolecular Energy' in keywords Facet   Publication Year 1993  [X]
Facet   section ZfN Section C:Volume 048  [X]
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1Author    SimonP M Ackay, PatrickJ. O 'malleyRequires cookie*
 Title    Molecular Modelling of the Interactions between Optically Active Triazine Herbicides and Photosystem II  
 Abstract    The Q b binding site o f photosystem II in green plants displays stereoselectivity for the (S') stereoisomer o f the a-m ethylbenzyl derivative o f atrazine but not for derivatives with smaller substituents such as sec-butyl. We have shown that interactive models reflect the experimental data by determining the intermolecular energies between the D 1 protein binding region (resi­ dues Leu 210 to Val 280) and the triazine analogs. The intermolecular energy was calculated by van der W aals and electrostatic interactions after energy minimization o f the combined structures to reduce inter and intramolecular strain. On the basis o f these assumptions the role o f stereoselectivity for optically active triazines was site responsible such stereoselectivity was identified. 
  Reference    Z. Naturforsch. 48c, 474 (1993); received January 13/February 16 1993 
  Published    1993 
  Keywords    Atrazine, Electrostatic Interactions, Intermolecular Energy, Molecular M odelling, Photosystem II 
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 TEI-XML for    default:Reihe_C/48/ZNC-1993-48c-0474.pdf 
 Identifier    ZNC-1993-48c-0474 
 Volume    48