Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Zheng-Kun Kuang"'
Publikováno v:
Scientific Reports, Vol 11, Iss 1, Pp 1-1 (2021)
An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Externí odkaz:
https://doaj.org/article/2896debc76864f268789aa2d7a72d6dc
Publikováno v:
Molecules, Vol 21, Iss 11, p 1554 (2016)
The crystallized ligands in the Protein Data Bank (PDB) can be treated as the inverse shapes of the active sites of corresponding proteins. Therefore, the shape similarity between a molecule and PDB ligands indicated the possibility of the molecule t
Externí odkaz:
https://doaj.org/article/a0c76776250d47d59fb11c83629c1876
Publikováno v:
Scientific Reports
Scientific Reports, Vol 11, Iss 1, Pp 1-1 (2021)
Scientific Reports, Vol 11, Iss 1, Pp 1-1 (2021)
Adenosine receptors (ARs) are potential therapeutic targets for Parkinson's disease, diabetes, pain, stroke and cancers. Prediction of subtype selectivity is therefore important from both therapeutic and mechanistic perspectives. In this paper, we in
Publikováno v:
Scientific Reports
Adenosine receptors (ARs) are potential therapeutic targets for Parkinson’s disease, diabetes, pain, stroke and cancers. Prediction of subtype selectivity is therefore important from both therapeutic and mechanistic perspectives. In this paper, we
Publikováno v:
Chemical biologydrug design. 88(6)
We applied a novel molecular descriptor, three-dimensional biologically relevant spectrum (BRS-3D), in subtype selectivity prediction of dopamine receptor (DR) ligands. BRS-3D is a shape similarity profile calculated by superimposing the objective co
Publikováno v:
ResearcherID
Molecules; Volume 21; Issue 11; Pages: 1554
Molecules
Molecules, Vol 21, Iss 11, p 1554 (2016)
Molecules; Volume 21; Issue 11; Pages: 1554
Molecules
Molecules, Vol 21, Iss 11, p 1554 (2016)
The crystallized ligands in the Protein Data Bank (PDB) can be treated as the inverse shapes of the active sites of corresponding proteins. Therefore, the shape similarity between a molecule and PDB ligands indicated the possibility of the molecule t
Autor:
De-Xin Kong, Zheng-Kun Kuang, Xiao Li, Rong Wang, Zhi-Luo Deng, Ben Hu, Cai-Xia Du, Hong-Yu Zhang, Shi-Yu Feng
Publikováno v:
Journal of chemical information and modeling. 53(11)
Both recent studies and our calculation suggest that the physicochemical properties of launched drugs changed continuously over the past decades. Besides shifting of commonly used properties, the average biological relevance (BR) and similarity to na
Autor:
Zhi-Luo Deng, Cai-Xia Du, Xiao Li, Ben Hu, Zheng-Kun Kuang, Rong Wang, Shi-Yu Feng, Hong-Yu Zhang, De-Xin Kong
Publikováno v:
Journal of Chemical Information & Modeling; Nov2013, Vol. 53 Issue 11, p2820-2828, 9p