BION-2: Predicting Positions of Non-Specifically Bound Ions on Protein Surface by a Gaussian-Based Treatment of Electrostatics

BION-2: Predicting Positions of Non-Specifically Bound Ions on Protein Surface by a Gaussian-Based Treatment of Electrostatics

Ions play significant roles in biological processes—they may specifically bind to a protein site or bind non-specifically on its surface. Although the role of specifically bound ions ranges from actively providing structural compactness via coordination of charge–charge interactions to numerous enzy...

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Bibliographic Details
Main Authors: H. B. Mihiri Shashikala, Arghya Chakravorty, Shailesh Kumar Panday, Emil Alexov
Format: Article
Language:English
Published: MDPI AG 2021-12-01
Series:International Journal of Molecular Sciences
Subjects:
non-specific binding
surface bound ions
electrostatics
Poisson–Boltzmann equation
dielectric constant
Online Access:https://www.mdpi.com/1422-0067/22/1/272

Internet

https://www.mdpi.com/1422-0067/22/1/272

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