Capturing the Effects of Explicit Waters in Implicit Electrostatics Modeling: Qualitative Justification of Gaussian-Based Dielectric Models in DelPhi
Author:
Affiliation:
1. Computational Biophysics and Bioinformatics, Department of Physics and Astronomy, Clemson University, Clemson, South Carolina 29634, United States
2. Department of Mathematics, University of Alabama, Tuscaloosa, Alabama 35487, United States
Funder
National Science Foundation
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.0c00151
Reference52 articles.
1. On the Dielectric “Constant” of Proteins: Smooth Dielectric Function for Macromolecular Modeling and Its Implementation in DelPhi
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3. Hydration of Proteins and Polypeptides
4. Solvent dramatically affects protein structure refinement
5. The spatial range of protein hydration
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