Graph theory-based reaction pathway searches and DFT calculations for the mechanism studies of free radical-initiated peptide sequencing mass spectrometry (FRIPS MS): a model gas-phase reaction of GGR tri-peptide-Reference-Cited by-同舟云学术

Graph theory-based reaction pathway searches and DFT calculations for the mechanism studies of free radical-initiated peptide sequencing mass spectrometry (FRIPS MS): a model gas-phase reaction of GGR tri-peptide

Published:2020 Issue:9 Volume:22 Page:5057-5069
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Lee Jae-ung¹²³⁴^ORCID,Kim Yeonjoon¹⁵⁶⁴^ORCID,Kim Woo Youn¹⁵⁶⁴^ORCID,Oh Han Bin¹²³⁴^ORCID

Affiliation:

1. Department of Chemistry

2. Sogang University

3. Seoul 04107

4. Republic of Korea

5. Korea Advanced Institute of Science and Technology

6. Daejeon 34141

Abstract

A new approach for elucidating gas-phase fragmentation mechanisms is proposed: graph theory-based reaction pathway searches (ACE-Reaction program) and density functional theory (DFT) calculations.

Funder

National Research Foundation of Korea

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/C9CP05433B

Reference90 articles.

1. Mass Spectrometry in Proteomics

2. Protein sequencing by tandem mass spectrometry.

3. Collision-induced fragmentation of underivatizedN-linked carbohydrates ionized by electrospray

4. Collision‐Induced Dissociation (CID) of Peptides and Proteins

5. Lipidomics: An analysis of cellular lipids by ESI-MS

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