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Leach, 1995 - Google Patents

The treatment of conformationally flexible molecules in similarity and complementarity searching

Leach, 1995

Document ID
8149667443026969638
Author
Leach A
Publication year
Publication venue
Molecular similarity in drug design

External Links

Snippet

The properties of a molecule are intimately linked to the 3D structures, or conformations that it can adopt. Consideration of the conformational properties of a molecule is therefore essential in any approach to rational drug design. Conformational analysis is the study of the …
Continue reading at link.springer.com (other versions)

Classifications

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    • G06F19/16—Bioinformatics, i.e. methods or systems for genetic or protein-related data processing in computational molecular biology for molecular structure, e.g. structure alignment, structural or functional relations, protein folding, domain topologies, drug targeting using structure data, involving two-dimensional or three-dimensional structures
    • G—PHYSICS
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    • G06F19/706—Chemoinformatics, i.e. data processing methods or systems for the retrieval, analysis, visualisation, or storage of physicochemical or structural data of chemical compounds for drug design with the emphasis on a therapeutic agent, e.g. ligand-biological target interactions, pharmacophore generation
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