HIT-2: Implementing machine learning algorithms to treat bound ions in biomolecules

HIT-2: Implementing machine learning algorithms to treat bound ions in biomolecules

Electrostatic features are fundamental to protein functions and protein-protein interactions. Studying highly charged biomolecules is challenging given the heterogeneous distribution of the ionic cloud around such biomolecules. Here we report a new computational method, Hybridizing Ions Treatment-2...

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Bibliographic Details
Main Authors: Shengjie Sun, Honglun Xu, Yixin Xie, Jason E. Sanchez, Wenhan Guo, Dongfang Liu, Lin Li
Format: Article
Language:English
Published: Elsevier 2023-01-01
Series:Computational and Structural Biotechnology Journal
Subjects:
Bound ions
Explicit solvent model
Implicit solvent model
Electrostatic calculation
Delphi
Online Access:http://www.sciencedirect.com/science/article/pii/S2001037023000594

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http://www.sciencedirect.com/science/article/pii/S2001037023000594

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