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

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 Network-ba...

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Detalles Bibliográficos
Autores principales: Pang, Mingwei, He, Wangqiu, Lu, Xufeng, She, Yuting, Xie, Liangxu, Kong, Ren, Chang, Shan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2023
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10668353/
https://www.ncbi.nlm.nih.gov/pubmed/37996806
http://dx.doi.org/10.1186/s12859-023-05571-y

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