Quantifying the Long‐Range Coupling of Electronic Properties in Proteins with ab initio Molecular Dynamics**-Reference-Cited by-同舟云学术

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Quantifying the Long‐Range Coupling of Electronic Properties in Proteins with ab initio Molecular Dynamics**

Published:2021-07-19 Issue:8 Volume:1 Page:362-373
ISSN:2628-9725
Container-title:Chemistry–Methods
language:en
Short-container-title:Chem. Methods

Author:

Yang Zhongyue¹,Hajlasz Natalia¹,Steeves Adam H.¹^ORCID,Kulik Heather J.¹^ORCID

Affiliation:

1. Massachusetts Institute of Technology 77 Massachusetts Ave, Rm 66-464 Cambridge MA 02139 USA

Funder

Burroughs Wellcome Fund

U.S. Department of Energy

Office of Science

Basic Energy Sciences

National Science Foundation

Publisher

Wiley

Subject

Materials Science (miscellaneous)

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/cmtd.202100012

Reference204 articles.

1.

2. Low-Barrier Hydrogen Bonds and Enzymic Catalysis

3. The structure of proteins: Two hydrogen-bonded helical configurations of the polypeptide chain

4. Configurations of Polypeptide Chains With Favored Orientations Around Single Bonds: Two New Pleated Sheets

5. Molecular basis of thermostability in the lysozyme from bacteriophage T4

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2. Data-driven enzyme engineering to identify function-enhancing enzymes;Protein Engineering, Design and Selection;2022-10-10

3. Insights into the stability of engineered mini-proteins from their dynamic electronic properties;Electronic Structure;2022-09-01

4. Factors That Determine the Variation of Equilibrium and Kinetic Properties of QM/MM Enzyme Simulations: QM Region, Conformation, and Boundary Condition;Journal of Chemical Theory and Computation;2022-02-28

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