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Molecular Discovery Ltd

PETRA (calculation of physicochemical parameters) Molecular Networks GmbH, Nagelsbachstrasse 25, D-91052 Erlangen, Germany http //www.mol-net.de/ VolSurf Molecular Discovery Ltd., West Way House, Elms Parade, Oxford 0X2 9LL, UK http //www.moldiscovery.com/... [Pg.434]

D P f Goodford 1985. A Computational Procedure for Determining Energetically Favorable Binding Sites on Biologically Important Macromolecules. Journal of Medicinal Chemistry 28 849-857. Molecular Discovery Ltd, Oxford, United Kingdom. [Pg.18]

GRIN/GRID nonbonded force probe of active sites Eran-cisco Molecular Discovery, Ltd. (Goodford)... [Pg.169]

The majority of enzyme substrates contain flexible moieties. As the 3D structure of the substrate to be analyzed (the conformation) has a reasonable impact on the outcome of the method, a precise protocol is used to build it. Each substrate is subjected to a conformational search followed by energy minimization by means of a software developed at Molecular Discovery Ltd. The population of conformers is... [Pg.282]

Molecular Discovery Ltd 215 Marsh Road, Pinner Middlesex HA5 5NE London United Kingdom... [Pg.502]

GRID version 18, Molecular Discovery Ltd., West Way House, Elms Parade, Oxford UK. [Pg.377]

GRID, Molecular Discovery Ltd., 215 Marsh Road, 1st floor, HA5 5NE, Pinner, Middlesex, UK, www.moldiscovery.com... [Pg.80]

We would like to thank Prof Gabriele Cruciani (University of Perugia, Italy) for his contribution and support to the FLAP project and Massimo Baroni (Molecular Discovery, Ltd) for developing the FLAP code. Particular thanks to Simone Scia-bola for the work done on testing and validation of the software in the docking approach and to Dr Jonathan Mason for constructive discussions. [Pg.101]

Goodford, P. J. Computational procedure for determining energetically favourable binding sites on biologically important macromolecules, /. Med. Chem. 1985, 28, 849-857. GRID is available from Molecular Discovery Ltd,... [Pg.270]

Cruciani, G., Crivori, P., Carrupt, P. A., Testa, B. Molecular fields in quantitative structure-permeation relationships The VolSurfapproach,/. Mol. Struct. (Theo-chem) 2000, 503, 17-30. VolSurf is available from Molecular Discovery Ltd., http / / moldiscovery.com... [Pg.270]

Cruciani, G., Carosati, E., DeBoeck, B., Ethirajulu, K., Mackie, C., Howe, X, Vianello, R. MetaSite understanding metabolism in human cytochromes from the perspective of the Chemist. J. Med. Chem. 2005, 48, 6970-6979. The program METASITE is available from Molecular Discovery Ltd., 215 Marsh Road, 1HA5 5NE, Pinner, UK (http //www.moldiscovery.com)... [Pg.602]

GRID 20 is available from Molecular Discovery Ltd. http //www.moldiscovery. com/index.html... [Pg.101]

Molecular Discovery Ltd. Dr. Peter Goodford West Way House... [Pg.423]

Molecular Discovery Ltd., Via Stoppani, 38, 06135 - Ponte San Giovanni - Perugia, Italy http //www.moldiscovery.com/soft metasite.php. Accessed 2013 May 14. [Pg.265]


See other pages where Molecular Discovery Ltd is mentioned: [Pg.433]    [Pg.434]    [Pg.419]    [Pg.23]    [Pg.259]    [Pg.499]    [Pg.189]    [Pg.247]    [Pg.102]    [Pg.141]    [Pg.290]    [Pg.290]    [Pg.324]    [Pg.432]    [Pg.239]    [Pg.162]    [Pg.72]    [Pg.602]    [Pg.492]    [Pg.374]    [Pg.776]    [Pg.256]    [Pg.602]    [Pg.390]    [Pg.116]    [Pg.350]   
See also in sourсe #XX -- [ Pg.432 ]

See also in sourсe #XX -- [ Pg.350 ]




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