The Binding Mode of the Sonic Hedgehog Inhibitor Robotnikinin, a Combined Docking and QM/MM MD Study

Erroneous activation of the Hedgehog pathway has been linked to a great amount of cancerous diseases and therefore a large number of studies aiming at its inhibition have been carried out. One leverage point for novel therapeutic strategies targeting the proteins involved, is the prevention of compl...

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Bibliographic Details
Published in:Front Chem
Main Authors: Hitzenberger, Manuel, Schuster, Daniela, Hofer, Thomas S.
Format: Artigo
Language:Inglês
Published: Frontiers Media S.A. 2017
Subjects:
Chemistry
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC5660280/
https://ncbi.nlm.nih.gov/pubmed/29109946
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2017.00076
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