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#46

Comprehensive, Quantitative Analysis of SRM 1950: the NIST Human Plasma Reference Material.

Authors: Mandal R; Zheng J; Zhang L; Oler E; LeVatte MA; Berjanskii M; Lipfert M; Han J; Borchers CH; Wishart DS

Year: 2025

Journal/Conference: Analytical chemistry

Citations: 1

Categories: NMR Spectroscopy Metabolomics Chemical Metabolome Proteomics

More details Google Scholar Pubmed: 39757418 DOI: 10.1021/acs.analchem.4c05018
#44

The Natural Products Magnetic Resonance Database (NP-MRD) for 2025.

Authors: Wishart DS; Sajed T; Pin M; Poynton EF; Goel B; Lee BL; Guo AC; Saha S; Sayeeda Z; Han S; Berjanskii M; Peters H; Oler E; Gautam V; Jordan T; Kim J; Ledingham B; Tretter ZM; Koller JT; Shreffler HA; Stillwell LR; Jystad AM; Govind N; Bade JL; Sumner LW; Linington RG; Cort JR

Year: 2025

Journal/Conference: Nucleic acids research

Citations: 4

Categories: NMR Spectroscopy Metabolomics Chemical Shifts Prediction Computational Biology

More details Google Scholar Pubmed: 39574402 DOI: 10.1093/nar/gkae1067
#48

MarkerDB 2.0: a comprehensive molecular biomarker database for 2025.

Authors: Jackson H; Oler E; Torres-Calzada C; Kruger R; Hira AS; Lopez-Hernandez Y; Pandit D; Wang J; Yang K; Fatokun O; Berjanskii M; MacKay S; Sajed T; Han S; Woudstra R; Sykes G; Poelzer J; Sivakumaran A; Gautam V; Wong G; Wishart DS

Year: 2025

Journal/Conference: Nucleic acids research

Citations: 0

Categories: Chemical Biomarkers Computational Biology

More details Google Scholar Pubmed: 39535054 DOI: 10.1093/nar/gkae1056
#41

Accurate Prediction of (1)H NMR Chemical Shifts of Small Molecules Using Machine Learning.

Authors: Sajed T; Sayeeda Z; Lee BL; Berjanskii M; Wang F; Gautam V; Wishart DS

Year: 2024

Journal/Conference: Metabolites

Citations: 8

Categories: Metabolomics Chemical Shifts Prediction

More details Google Scholar Pubmed: 38786767 DOI: 10.3390/metabo14050290
#37

MagMet: A fully automated web server for targeted nuclear magnetic resonance metabolomics of plasma and serum.

Authors: Rout M; Lipfert M; Lee BL; Berjanskii M; Assempour N; Fresno RV; Cayuela AS; Dong Y; Johnson M; Shahin H; Gautam V; Sajed T; Oler E; Peters H; Mandal R; Wishart DS

Year: 2023

Journal/Conference: Magnetic resonance in chemistry : MRC

Citations: 20

Categories: NMR Spectroscopy Metabolomics Chemical Computational Biology

More details Google Scholar Pubmed: 37265034 DOI: 10.1002/mrc.5371
#42

Rapid and reliable protein structure determination via chemical shift threading

Authors: NE Hafsa, MV Berjanskii, D Arndt, DS Wishart

Year: 2018

Journal/Conference: Journal of Biomolecular NMR 70, 33-51

Citations: 6

Categories: Protein Structure Chemical

More details Google Scholar Pubmed
#63

Unraveling the meaning of chemical shifts in protein NMR

Authors: MV Berjanskii, DS Wishart

Year: 2017

Journal/Conference: Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics (11)-

Citations: 41

Categories: Chemical Shifts

More details Google Scholar Pubmed DOI: 10.1016/S1570963917301528
#40

A robust algorithm for optimizing protein structures with NMR chemical shifts

Authors: M Berjanskii, D Arndt, Y Liang, DS Wishart

Year: 2015

Journal/Conference: Journal of biomolecular NMR 63, 255-264

Citations: 11

Categories: Chemical Shifts

More details Google Scholar Pubmed
#64

A simple method to measure protein side-chain mobility using NMR chemical shifts.

Authors: Berjanskii MV; Wishart DS

Year: 2013

Journal/Conference: Journal of the American Chemical Society

Citations: 40

Categories: Protein Structure and Dynamics NMR Spectroscopy Protein Structure Chemical Shifts Proteins Protein Conformation Nuclear Magnetic Resonance, Biomolecular Biomolecular NMR

More details Google Scholar Pubmed: 24032347 DOI: 10.1021/ja407509z
#12

CS23D: a web server for rapid protein structure generation using NMR chemical shifts and sequence data

Authors: DS Wishart, D Arndt, M Berjanskii, P Tang, J Zhou, G Lin

Year: 2008

Journal/Conference: Nucleic acids research 36 (suppl_2), W496-W502

Citations: 233

Categories: Protein Structure Chemical Shifts

More details Google Scholar
#18

The RCI server: rapid and accurate calculation of protein flexibility using chemical shifts

Authors: MV Berjanskii, DS Wishart

Year: 2007

Journal/Conference: Nucleic acids research 35 (suppl_2), W531-W537

Citations: 91

Categories: Chemical Shifts Flexibility

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#25

Accurate prediction of protein torsion angles using chemical shifts and sequence homology

Authors: S Neal, M Berjanskii, H Zhang, DS Wishart

Year: 2006

Journal/Conference: Magnetic Resonance in Chemistry 44 (S1), S158-S167

Citations: 60

Categories: Chemical Shifts Prediction

More details Google Scholar
#57

A simple method to predict protein flexibility using secondary chemical shifts.

Authors: Berjanskii MV; Wishart DS

Year: 2005

Journal/Conference: Journal of the American Chemical Society

Citations: 497

Categories: Protein Structure and Dynamics NMR Spectroscopy Protein Structure Chemical Shifts Proteins Flexibility Protein Conformation Protein Dynamics

More details Google Scholar Pubmed: 16248604 DOI: 10.1021/ja054842f
#45

Automatic chemical profiling of wine by proton nuclear magnetic resonance spectroscopy

Authors: BL Lee, M Rout, Y Dong, M Lipfert, M Berjanskii, F Shahin, ...

Year: 1937

Journal/Conference: ACS Food Science & Technology 4 (8)-

Citations: 3

Categories: Chemical

More details Google Scholar