What Is the Dielectric Constant of a Protein When Its Backbone Is Fixed?
Author:
Affiliation:
1. Laboratoire de Biochimie (CNRS UMR7654), Department of Biology, Ecole Polytechnique, 91128 Palaiseau, France
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct400398e
Reference75 articles.
1. Conformation and hydrogen ion titration of proteins: a continuum electrostatic model with conformational flexibility
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4. Accurate, conformation-dependent predictions of solvent effects on protein ionization constants
5. Optimizing pKAcomputation in proteins with pH adapted conformations
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