Accurate Prediction of Hydration Sites of Proteins Using Energy Model With Atom Embedding

We propose a method based on neural networks to accurately predict hydration sites in proteins. In our approach, high-quality data of protein structures are used to parametrize our neural network model, which is a differentiable score function that can evaluate an arbitrary position in 3D structures...

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Bibliographic Details
Main Authors: Pin Huang, Haoming Xing, Xun Zou, Qi Han, Ke Liu, Xiangyan Sun, Junqiu Wu, Jie Fan
Format: Article
Language:English
Published: Frontiers Media S.A. 2021-09-01
Series:Frontiers in Molecular Biosciences
Subjects:
Online Access:https://www.frontiersin.org/articles/10.3389/fmolb.2021.756075/full