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Lessons Learned from Participating in D3R 2016 Grand Challenge 2: Compounds Targeting the Farnesoid X Receptor

D3R 2016 Grand Challenge 2 focused on predictions of binding modes and affinities for 102 compounds against the Farnesoid X receptor (FXR). In this challenge, two distinct methods, a docking-based method and a template-based method, were employed by our team for the binding mode prediction. For the...

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Bibliografski detalji
Izdano u:J Comput Aided Mol Des
Glavni autori: Duan, Rui, Xu, Xianjin, Zou, Xiaoqin
Format: Artigo
Jezik:Inglês
Izdano: 2017
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC5767536/
https://ncbi.nlm.nih.gov/pubmed/29127582
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-017-0082-x
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