ProCS15: a DFT-based chemical shift predictor for backbone and Cβatoms in proteins

Anders Støttrup Larsen; Lars Andersen Bratholm; Anders S. Christensen; Maher Channir; Jan Halborg Jensen

doi:10.7717/peerj.1344

ProCS15: a DFT-based chemical shift predictor for backbone and Cβatoms in proteins

Anders Støttrup Larsen, Lars Andersen Bratholm, Anders S. Christensen, Maher Channir, Jan Halborg Jensen

Department of Chemistry

11 Citations (Scopus)

273 Downloads (Pure)

Original language	English
Article number	e1344
Journal	PeerJ
Volume	3
Number of pages	19
ISSN	2167-8359
DOIs	https://doi.org/10.7717/peerj.1344
Publication status	Published - 2015

Keywords

Protein structure
NMR
Chemical shifts
Quantum chemistry

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10.7717/peerj.1344Licence: CC BY

Larsen_2015_ProCS15_a_DFT-based_chemicalFinal published version, 1.54 MBLicence: CC BY

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title = "ProCS15: a DFT-based chemical shift predictor for backbone and Cβatoms in proteins",

keywords = "Protein structure, NMR, Chemical shifts, Quantum chemistry",

author = "Larsen, {Anders St{\o}ttrup} and Bratholm, {Lars Andersen} and Christensen, {Anders S.} and Maher Channir and Jensen, {Jan Halborg}",

year = "2015",

doi = "10.7717/peerj.1344",

language = "English",

volume = "3",

journal = "PeerJ",

issn = "2167-8359",

publisher = "PeerJ",

}

TY - JOUR

T1 - ProCS15

T2 - a DFT-based chemical shift predictor for backbone and Cβatoms in proteins

AU - Larsen, Anders Støttrup

AU - Bratholm, Lars Andersen

AU - Christensen, Anders S.

AU - Channir, Maher

AU - Jensen, Jan Halborg

PY - 2015

Y1 - 2015

KW - Protein structure

KW - NMR

KW - Chemical shifts

KW - Quantum chemistry

U2 - 10.7717/peerj.1344

DO - 10.7717/peerj.1344

M3 - Journal article

C2 - 26623185

SN - 2167-8359

VL - 3

JO - PeerJ

JF - PeerJ

M1 - e1344

ER -

ProCS15: a DFT-based chemical shift predictor for backbone and Cβatoms in proteins

Keywords

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