On delivering polar solvation free energy of proteins from energy minimized structures using a regularized super-Gaussian Poisson-Boltzmann model

On delivering polar solvation free energy of proteins from energy minimized structures using a regularized super-Gaussian Poisson-Boltzmann model

© 2024 The Author(s). Journal of Computational Chemistry published by Wiley Periodicals LLC.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 46(2025), 1 vom: 05. Jan., Seite e27496
1. Verfasser: Panday, Shailesh Kumar (VerfasserIn)
Weitere Verfasser: Chakravorty, Arghya, Zhao, Shan, Alexov, Emil
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2025
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article DelPhi Poisson–Boltzmann equation polar solvation free energy protein solvation regularized PB super‐Gaussian dielectric
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