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

Li, Jie; Bennett, Kochise C.; Liu, Yuchen; Martin, Michael V.; Head-Gordon, Teresa

doi:10.1039/C9SC06561J

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

Journal Article · 25 March 2020 · Chemical Science

DOI: https://doi.org/10.1039/C9SC06561J · OSTI ID:1603712

^[1]; Bennett, Kochise C. ^[1]; Liu, Yuchen ^[1]; Martin, Michael V. ^[2];

^[1]

Pitzer Center for Theoretical Chemistry, University of California, Berkeley, USA, Department of Chemistry
Department of Bioengineering, University of California, Berkeley, USA

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

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Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1603712

Journal Information:: Chemical Science, Journal Name: Chemical Science Journal Issue: 12 Vol. 11; ISSN 2041-6520; ISSN CSHCBM

Publisher:: Royal Society of Chemistry (RSC)Copyright Statement

Country of Publication:: United Kingdom

Language:: English

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