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Molecular discovery

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]

Dr. Ismael Zamora Lead Molecular Discovery Fransecs Cananes 1-3, 2-1 08190 Sant Cugat del Valles Spain... [Pg.1]

The authors are grateful to MD (Molecular Discovery, London, UK www. moldiscovery.com) for the use of the software, and to P. Grossi, B. Speed and P. Crivori (Pharmacia Corporation, Nerviano, Italy), for making available the dataset regarding metabolic stability. [Pg.418]

Pittsburgh Molecular Libraries Screening Center, University of Pittsburgh, Pittsburgh, PA 15260 and Penn Center for Molecular Discovery, University of Pennsylvania, Philadelphia, PA 19104, USA San Diego Center for Chemical Genomics, Burnham Institute for Medical Research, 10901 N. Torrey Pines Road, La Jolla, CA 92037, USA... [Pg.401]

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]

WOMBAT 2004.1 is available from Sunset Molecular Discovery, Santa Fe, New Mexico,... [Pg.39]

M.S. Virtual compound libraries a new approach to decision making in molecular discovery research. /. Chem. Inf Comput. Sci. 1998, 38, 1010-1023. [Pg.197]

WOMBAT 2004.1 is available from Sunset Molecular Discovery, Santa Fe, NM, http //www.sunsetmolecular.com/ and from Metaphorics LLC, Santa Fe, NM, New Mexico,... [Pg.238]

Molecular recognition is obviously a critical component (and often the primary goal) of DCC-based molecular discovery, and the molecular recognition community was instrumental in developing experiments that directly prefigured the development of DCC. Two examples from the Lehn group are illustrative. In 1990, Lehn and coworkers reported that mixtures of tartrate-based compounds could be induced to form liquid... [Pg.3]

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

PENGUINS Molecular Discovery 185 http //www.moldiscovery.com/index.php... [Pg.280]

Present address Molecular Discovery Research, GlaxoSmithKline, Research Triangle Park, Durham, North Carohna, USA... [Pg.2]

This study was partially supported (I.V.T.) by the Go-Bio BMBF grant 0313883 (AZ-31P4556), by the New Mexico Tobacco Settlement Fund (T.I.O.) and by data from Sunset Molecular Discovery EEC. This chapter is dedicated to Corwin Hansch, founder of the QSAR field, on his 90th birthday. [Pg.260]


See other pages where Molecular discovery is mentioned: [Pg.433]    [Pg.434]    [Pg.97]    [Pg.419]    [Pg.23]    [Pg.404]    [Pg.259]    [Pg.499]    [Pg.214]    [Pg.121]    [Pg.165]    [Pg.124]    [Pg.184]    [Pg.184]    [Pg.184]    [Pg.185]    [Pg.186]    [Pg.186]    [Pg.187]    [Pg.189]    [Pg.247]    [Pg.181]    [Pg.293]    [Pg.40]   
See also in sourсe #XX -- [ Pg.451 ]

See also in sourсe #XX -- [ Pg.253 ]

See also in sourсe #XX -- [ Pg.284 ]




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