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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Bibliografiset tiedot
Päätekijät: Haiping Zhang, Linbu Liao, Konda Mani Saravanan, Peng Yin, Yanjie Wei
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: PeerJ Inc. 2019-07-01
Sarja:PeerJ
Aiheet:
Protein–ligand binding affinity
ResNet
Deep neural network
Native-like protein–ligand complex
Drug design
Linkit:https://peerj.com/articles/7362.pdf
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