Modeling enzyme-ligand binding in drug discovery.
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ABSTRACT:
SUBMITTER: Konc J
PROVIDER: S-EPMC4594084 | biostudies-literature | 2015 Dec
REPOSITORIES: biostudies-literature
Publications
Modeling enzyme-ligand binding in drug discovery.
Konc Janez J Lešnik Samo S Janežič Dušanka D
Journal of cheminformatics 20151006 1
Enzymes are one of the most important groups of drug targets, and identifying possible ligand-enzyme interactions is of major importance in many drug discovery processes. Novel computational methods have been developed that can apply the information from the increasing number of resolved and available ligand-enzyme complexes to model new unknown interactions and therefore contribute to answer open questions in the field of drug discovery like the identification of unknown protein functions, off- ...[more]
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