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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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Detalles Bibliográficos
Autores principales: Zhang, Haiping, Liao, Linbu, Saravanan, Konda Mani, Yin, Peng, Wei, Yanjie
Formato: Online Artículo Texto
Lenguaje:English
Publicado: PeerJ Inc. 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6661145/
https://www.ncbi.nlm.nih.gov/pubmed/31380152
http://dx.doi.org/10.7717/peerj.7362