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DeepBindRG: a deep learning based method for estimating effective protein–ligand affinity

Proteins interact with small molecules to modulate several important cellular functions. Many acute diseases were cured by small molecule binding in the active site of protein either by inhibition or activation. Currently, there are several docking programs to estimate the binding position and the b...

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Bibliografiske detaljer
Udgivet i:PeerJ
Main Authors: Zhang, Haiping, Liao, Linbu, Saravanan, Konda Mani, Yin, Peng, Wei, Yanjie
Format: Artigo
Sprog:Inglês
Udgivet: PeerJ Inc. 2019
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6661145/
https://ncbi.nlm.nih.gov/pubmed/31380152
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.7717/peerj.7362
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