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Title: Accurate prediction of chemical shifts for aqueous protein structure on “Real World” data

Abstract

UCBShift predicts NMR chemical shifts of proteins that exceeds accuracy of other popular chemical shift predictors on real-world data sets.

Authors:
ORCiD logo [1];  [1];  [1];  [2]; ORCiD logo [1]
  1. Pitzer Center for Theoretical Chemistry, University of California, Berkeley, USA, Department of Chemistry
  2. Department of Bioengineering, University of California, Berkeley, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1603712
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Published Article
Journal Name:
Chemical Science
Additional Journal Information:
Journal Name: Chemical Science Journal Volume: 11 Journal Issue: 12; Journal ID: ISSN 2041-6520
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Li, Jie, Bennett, Kochise C., Liu, Yuchen, Martin, Michael V., and Head-Gordon, Teresa. Accurate prediction of chemical shifts for aqueous protein structure on “Real World” data. United Kingdom: N. p., 2020. Web. doi:10.1039/C9SC06561J.
Li, Jie, Bennett, Kochise C., Liu, Yuchen, Martin, Michael V., & Head-Gordon, Teresa. Accurate prediction of chemical shifts for aqueous protein structure on “Real World” data. United Kingdom. doi:10.1039/C9SC06561J.
Li, Jie, Bennett, Kochise C., Liu, Yuchen, Martin, Michael V., and Head-Gordon, Teresa. Wed . "Accurate prediction of chemical shifts for aqueous protein structure on “Real World” data". United Kingdom. doi:10.1039/C9SC06561J.
@article{osti_1603712,
title = {Accurate prediction of chemical shifts for aqueous protein structure on “Real World” data},
author = {Li, Jie and Bennett, Kochise C. and Liu, Yuchen and Martin, Michael V. and Head-Gordon, Teresa},
abstractNote = {UCBShift predicts NMR chemical shifts of proteins that exceeds accuracy of other popular chemical shift predictors on real-world data sets.},
doi = {10.1039/C9SC06561J},
journal = {Chemical Science},
number = 12,
volume = 11,
place = {United Kingdom},
year = {2020},
month = {3}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1039/C9SC06561J

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