Probing multiple effects on 15N, 13Cα, 13Cβ, and 13C′ chemical shifts in peptides using density functional theory

Journal article

Peer reviewed

Xiao-Ping Xu and David A Case

Biopolymers, Vol.65(6), pp.408-423

12/15/2002

Abstract

backbone conformations

chemical shifts

conformational effects

density functional calculations

hydrogen bonding

model peptides

side-chain orientations

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Title: Probing multiple effects on 15N, 13Cα, 13Cβ, and 13C′ chemical shifts in peptides using density functional theory
Creators: Xiao-Ping Xu - Scripps Research Institute
David A Case - Scripps Research Institute
Publication Details: Biopolymers, Vol.65(6), pp.408-423
Date published: 12/15/2002
Publisher: Wiley Subscription Services, Inc., A Wiley Company
Number of pages: 16
Academic Unit: Chemistry and Chemical Biology (SAS)
Language: English
Resource Type: Journal article
Identifiers: 991031716275804646