AA-MD simulation beta-sitosterol (BST), sonidegib (SNG) and cholesterol (CLR) with smoothened protein (SMO)

The data provided here are the raw and supplementary data for all atom (AA) molecular dynamic simulations of beta-sitosterol, sonidegib and cholesterol with smoothened protein (SMO), respectively. There are three folder; SMO-BST, SMO-CLR and SMO-SNG. In each folder, the topology (.tpr) and trajector...

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Bibliographische Detailangaben
1. Verfasser:	Che Omar, Mohammad Tasyriq
Format:	Dataset
Sprache:	eng
Schlagworte:	Computational Biochemistry Drug Discovery Molecular Dynamics Study
Online-Zugang:	Volltext bestellen
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