Zobrazeno 1 - 10 of 10 pro vyhledávání: '"Graham J. Sexton"'
1
Structural and Computational Analysis of the Quinone-binding Site of Complex II (Succinate-Ubiquinone Oxidoreductase)
Autor: Kazuro Shiomi, Bernadette Byrne, Rob Horsefield, So Iwata, Satoshi Omura, Graham J. Sexton, Victoria Yankovskaya, William Guy Whittingham, Gary Cecchini
Publikováno v: Journal of Biological Chemistry. 281:7309-7316
The transfer of electrons and protons between membrane-bound respiratory complexes is facilitated by lipid-soluble redox-active quinone molecules (Q). This work presents a structural analysis of the quinone-binding site (Q-site) identified in succina
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::483145dbff2352759aead28c000ec07c
https://doi.org/10.1074/jbc.m508173200
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2
Modeling the Qo site of crop pathogens in Saccharomyces cerevisiae cytochrome b
Autor: Amanda C. Brown, Brigitte Meunier, Alison Cook, Graham J. Sexton, Nicholas Fisher, John David Windass
Publikováno v: European Journal of Biochemistry. 271:2264-2271
Saccharomyces cerevisiae has been used as a model system to characterize the effect of cytochrome b mutations found in fungal and oomycete plant pathogens resistant to Qo inhibitors (QoIs), including the strobilurins, now widely employed in agricultu
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::06e275aec49cf52007ad0750fe7f23cd
https://doi.org/10.1111/j.1432-1033.2004.04169.x
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3
Solvation effects on equilibria: Triazoles and N-methyl piperidinol
Autor: Ruth M. Lynden-Bell, Graham J. Sexton, Claudio J. Margulis, Stuart E. Murdock, Jorge Kohanoff
Publikováno v: Physical Chemistry Chemical Physics. 4:5281-5288
We have performed calculations of the solvation effects on a number of equilibrium constants in water using a recently proposed hybrid quantum–classical scheme in which the liquid environment is modelled using classical solvent molecules and the so
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d294ec247de6a115f50553ef61bf83da
https://doi.org/10.1039/b203429h
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4
Determining the electronic structure and chemical potentials of molecules in solution
Autor: Ruth M. Lynden-Bell, Stuart E. Murdock, Graham J. Sexton, Jorge Kohanoff
Publikováno v: Physical Chemistry Chemical Physics. 4:3016-3021
A simulation scheme is proposed for determining the excess chemical potential of a substance in solution. First, a Monte Carlo simulation is performed with classical models for solute and solvent molecules. A representative sample of these configurat
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::6a3618b9eb1c58477f8aa85347019d40
https://doi.org/10.1039/b200991a
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5
Automatic generation of alignments for 3D QSAR analyses
Autor: Peter Willett, David B. Turner, Nicholas E. Jewell, Graham J. Sexton
Publikováno v: Journal of Molecular Graphics and Modelling. 20:111-121
Many 3D QSAR methods require the alignment of the molecules in a dataset, which can require a fair amount of manual effort in deciding upon a rational basis for the superposition. This paper describes the use of FBSS, a program for field-based simila
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::14309b08f654b2d7696c961df1c21a51
https://doi.org/10.1016/s1093-3263(01)00110-3
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8
Automation of conformational analysis and other molecular modeling calculations
Autor: Graham Mullier, Robin Taylor, Graham J. Sexton
Publikováno v: Journal of Molecular Graphics. 10:152-160
A software system has been developed for facilitating modeling calculations on large numbers of molecules. Using the system, it is possible to subject one or more molecules to a series of calculations, each requiring use of a different computer progr
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fa81d03abbb1417ba40dc52cb17d12e8
https://doi.org/10.1016/0263-7855(92)80049-j
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9
Synthesis and agrochemical screening of a library of natural product-like bicyclo[2,2,2]octenones
Autor: Donald R. James, Stephen C. Smith, Matthew M. Abelman, Graham J. Sexton
Publikováno v: Combinatorial chemistryhigh throughput screening. 8(7)
A general route to a series of differentially substituted bicyclo[2,2,2]octenones has been developed, making use of the in situ intramolecular Diels Alder reaction of masked ortho-benzoquinones. This approach was used to synthesize a series of thirte
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6d37aaf227afd425d6d3228a3a07aff1
https://pubmed.ncbi.nlm.nih.gov/16305358
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10
A CASSCF and CCI study of the potential surfaces of Ni(C2H2) and Pd(C2H2)
Autor: Björn O. Roos, Graham J. Sexton, Per-Olof Widmark
Publikováno v: Journal of Molecular Structure: THEOCHEM. 135:235-243
CASSCF and contracted CI calculations have been performed on the Ni(C 2 H 2 ) and Pd(C 2 H 2 ) complexes. The lowest singlet and triplet surfaces of the nickel complex and the lowest singlet surface of the palladium complex have been investigated. Mi
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::8714240206714b3792704065a4d71bde
https://doi.org/10.1016/0166-1280(86)80061-6
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