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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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Bibliografische gegevens
Gepubliceerd in:Front Chem
Hoofdauteurs: Pinto, Gaspar P., Vavra, Ondrej, Filipovic, Jiri, Stourac, Jan, Bednar, David, Damborsky, Jiri
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: Frontiers Media S.A. 2019
Onderwerpen:
Online toegang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6828983/
https://ncbi.nlm.nih.gov/pubmed/31737596
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2019.00709
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