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Santiago et al., 2012 - Google Patents

Virtual target screening: validation using kinase inhibitors

Santiago et al., 2012

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Document ID
14057283663889637239
Author
Santiago D
Pevzner Y
Durand A
Tran M
Scheerer R
Daniel K
Sung S
Lee Woodcock H
Guida W
Brooks W
Publication year
Publication venue
Journal of chemical information and modeling

External Links

Snippet

Computational methods involving virtual screening could potentially be employed to discover new biomolecular targets for an individual molecule of interest (MOI). However, existing scoring functions may not accurately differentiate proteins to which the MOI binds …
Continue reading at pmc.ncbi.nlm.nih.gov (PDF) (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
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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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