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Fast Screening of Inhibitor Binding/Unbinding Using Novel Software Tool CaverDock

Protein tunnels and channels are attractive targets for drug design. Drug molecules that block the access of substrates or release of products can be efficient modulators of biological activity. Here, we demonstrate the applicability of a newly developed software tool CaverDock for screening databas...

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Detalles Bibliográficos
Autores principales:	Pinto, Gaspar P., Vavra, Ondrej, Filipovic, Jiri, Stourac, Jan, Bednar, David, Damborsky, Jiri
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2019
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6828983/ https://www.ncbi.nlm.nih.gov/pubmed/31737596 http://dx.doi.org/10.3389/fchem.2019.00709

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