Beyond pKa: Experiments and Simulations of Nitrile Vibrational Probes in Staphylococcal Nuclease Show the Importance of Local Interactions-Reference-Cited by-同舟云学术

Beyond pKa: Experiments and Simulations of Nitrile Vibrational Probes in Staphylococcal Nuclease Show the Importance of Local Interactions

Published:2020-03-26 Issue:16 Volume:124 Page:3387-3399
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

First Jeremy T.¹^ORCID,Novelli Elisa T.¹^ORCID,Webb Lauren J.¹^ORCID

Affiliation:

1. Department of Chemistry, Texas Materials Institute, and Institute for Cell and Molecular Biology The University of Texas at Austin 105 East 24th Street STOP A5300, Austin, Texas 78712-1224, United States

Funder

Welch Foundation

National Science Foundation

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.0c00747

Reference87 articles.

1. Classical Electrostatics in Biology and Chemistry

2. Energetics of enzyme catalysis.

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4. A local reaction field method for fast evaluation of long‐range electrostatic interactions in molecular simulations

5. On the Truncation of Long-Range Electrostatic Interactions in DNA

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