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CSConv2d: A 2-D Structural Convolution Neural Network with a Channel and Spatial Attention Mechanism for Protein-Ligand Binding Affinity Prediction

The binding affinity of small molecules to receptor proteins is essential to drug discovery and drug repositioning. Chemical methods are often time-consuming and costly, and models for calculating the binding affinity are imperative. In this study, we propose a novel deep learning method, namely CSC...

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Detalles Bibliográficos
Autores principales: Wang, Xun, Liu, Dayan, Zhu, Jinfu, Rodriguez-Paton, Alfonso, Song, Tao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8145762/
https://www.ncbi.nlm.nih.gov/pubmed/33925310
http://dx.doi.org/10.3390/biom11050643