CoDock-Ligand: combined template-based docking and CNN-based scoring in ligand binding prediction

Abstract For ligand binding prediction, it is crucial for molecular docking programs to integrate template-based modeling with a precise scoring function. Here, we proposed the CoDock-Ligand docking method that combines template-based modeling and the GNINA scoring function, a Convolutional Neural N...

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Bibliografiske detaljer

Principais autores:	Mingwei Pang, Wangqiu He, Xufeng Lu, Yuting She, Liangxu Xie, Ren Kong, Shan Chang
Format:	Artigo
Sprog:	Inglês
Udgivet:	BMC 2023-11-01
Serier:	BMC Bioinformatics
Fag:	Ligand binding prediction CASP CoDock-Ligand Molecular docking
Online adgang:	https://doi.org/10.1186/s12859-023-05571-y
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