Charge-patching method for the calculation of electronic structure of polypeptides-Reference-Cited by-同舟云学术

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Charge-patching method for the calculation of electronic structure of polypeptides

Published:2018 Issue:36 Volume:20 Page:23301-23310
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sun Chang-Liang¹²³⁴⁵^ORCID,Liu Li-Ping⁵⁶⁷⁸⁹,Tian Fubo⁵⁶⁷⁸¹⁰,Ding Fu¹²³⁴,Wang Lin-Wang⁵⁶⁷⁸

Affiliation:

1. Center of Physical Chemistry Test

2. Shenyang University of Chemical Technology

3. Shenyang 110142

4. People's Republic of China

5. Materials Science Division

6. Lawrence Berkeley National Laboratory

7. Berkeley

8. USA

9. School of Physics

10. College of Physics

Abstract

Based on the CPM method, the charge densities of polypeptides can be generated and their electronic structure can be further calculated.

Funder

National Natural Science Foundation of China

Basic Energy Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP01803K

Reference66 articles.

1. An insight into the general relationship between the three dimensional structures of enzymes and their electronic wave functions: Implication for the prediction of functional sites of enzymes

2. Structural genomics of proteins from conserved biochemical pathways and processes

3. The Impact of Structural Genomics: Expectations and Outcomes

4. Overview of structural genomics: from structure to function

5. Effects of Point Mutation on Enzymatic Activity: Correlation between Protein Electronic Structure and Motion in Chorismate Mutase Reaction

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1. An information‐theoretic approach to basis‐set fitting of electron densities and other non‐negative functions;Journal of Computational Chemistry;2023-06-25

2. Discovery and design of soft polymeric bio-inspired materials with multiscale simulations and artificial intelligence;Journal of Materials Chemistry B;2020

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