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Three-dimensional structure searching

Sheridan, R.P., Nilakantan, R., Rusinko III, A., Bauman, N., Haraki, K. and Venkataraghavan, R. (1989). 3DSEARCH A System for Three-Dimensional Structure Searching. J.Chem.Inf ComputScL, 29,255-260. [Pg.645]

A recently released three-dimensional structure searching system is MACCS-3D, which is designed to be coupled with a MACCS-II database enhanced with three-dimensional structural data. The program uses thousands... [Pg.240]

Recent developments are generic (Markush) structure storage and retrieval, reaction storage and retrieval, three-dimensional structure searches, and various extensions of documentation in molecular biology. [Pg.10]

In the realm of three-dimensional structure searching, one searches not only the distribution of matter (atoms or electrons and nuclei) but the distribution of any property over space. This includes lipophilicity, charge separation, polarisability etc. [Pg.11]

Inorganic Three-dimensional Structure Databases Molecular Docking and Structure-based Design Protein Data Bank (PDB) A Database of 3D Structural Information of Biological Macromolecules Structural Similarity Measures for Database Searching Structure and Substructure Searching Structure Databases Structure Representation Three-dimensional Structure Searching,... [Pg.166]

See other pages where Three-dimensional structure searching is mentioned: [Pg.313]    [Pg.314]    [Pg.1170]    [Pg.214]    [Pg.216]    [Pg.218]    [Pg.220]    [Pg.222]    [Pg.224]    [Pg.226]    [Pg.228]    [Pg.228]    [Pg.230]    [Pg.232]    [Pg.234]    [Pg.236]    [Pg.238]    [Pg.240]    [Pg.242]    [Pg.244]    [Pg.246]    [Pg.248]    [Pg.250]    [Pg.252]    [Pg.254]    [Pg.256]    [Pg.258]    [Pg.260]    [Pg.262]    [Pg.62]    [Pg.307]    [Pg.416]    [Pg.419]    [Pg.425]    [Pg.529]    [Pg.551]    [Pg.650]    [Pg.1156]    [Pg.1579]    [Pg.2056]   
See also in sourсe #XX -- [ Pg.3 , Pg.73 , Pg.121 , Pg.131 ]



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Three-dimensional structure

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