Improved compound–protein interaction site and binding affinity prediction using self-supervised protein embeddings

Improved compound–protein interaction site and binding affinity prediction using self-supervised protein embeddings

Abstract Background Compound–protein interaction site and binding affinity predictions are crucial for drug discovery and drug design. In recent years, many deep learning-based methods have been proposed for predications related to compound–protein interaction. For protein inputs, how to make use of...

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Bibliographic Details
Main Authors: Jialin Wu, Zhe Liu, Xiaofeng Yang, Zhanglin Lin
Format: Article
Language:English
Published: BMC 2022-12-01
Series:BMC Bioinformatics
Subjects:
Compound–protein interaction
Binding affinity
Deep learning
Self-supervised protein embedding
Online Access:https://doi.org/10.1186/s12859-022-05107-w

Internet

https://doi.org/10.1186/s12859-022-05107-w

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