Assessment of the Components of the Electrostatic Potential of Proteins in Solution: Comparing Experiment and Theory-Reference-Cited by-同舟云学术

Assessment of the Components of the Electrostatic Potential of Proteins in Solution: Comparing Experiment and Theory

Published:2022-06-13 Issue:24 Volume:126 Page:4543-4554
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Chen Chuanying¹,Yu Binhan¹,Yousefi Razie¹,Iwahara Junji¹,Pettitt B. Montgomery¹^ORCID

Affiliation:

1. Department of Biochemistry and Molecular Biology, Sealy Center for Structural Biology and Molecular Biophysics, University of Texas Medical Branch, Galveston, Texas 77555, United States

Funder

Welch Foundation

National Institutes of Health

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.2c01611

Reference51 articles.

1. De novo determination of near-surface electrostatic potentials by NMR

2. Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles

3. ff19SB: Amino-Acid-Specific Protein Backbone Parameters Trained against Quantum Mechanics Energy Surfaces in Solution

4. The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin

5. A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6

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