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#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
#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
#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

More details Google Scholar
#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