Chemical Research
About this Project
Research related to Chemical
Related Publications
Comprehensive, Quantitative Analysis of SRM 1950: the NIST Human Plasma Reference Material.
Mandal R; Zheng J; Zhang L; Oler E; LeVatte MA; Berjanskii M; Lipfert M; Han J; Borchers CH; Wishart DS
MarkerDB 2.0: a comprehensive molecular biomarker database for 2025.
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
The Natural Products Magnetic Resonance Database (NP-MRD) for 2025.
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
Accurate Prediction of (1)H NMR Chemical Shifts of Small Molecules Using Machine Learning.
Sajed T; Sayeeda Z; Lee BL; Berjanskii M; Wang F; Gautam V; Wishart DS
MagMet: A fully automated web server for targeted nuclear magnetic resonance metabolomics of plasma and serum.
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
Rapid and reliable protein structure determination via chemical shift threading
NE Hafsa, MV Berjanskii, D Arndt, DS Wishart
Unraveling the meaning of chemical shifts in protein NMR
MV Berjanskii, DS Wishart
A robust algorithm for optimizing protein structures with NMR chemical shifts
M Berjanskii, D Arndt, Y Liang, DS Wishart
A simple method to measure protein side-chain mobility using NMR chemical shifts.
Berjanskii MV; Wishart DS
CS23D: a web server for rapid protein structure generation using NMR chemical shifts and sequence data
DS Wishart, D Arndt, M Berjanskii, P Tang, J Zhou, G Lin
The RCI server: rapid and accurate calculation of protein flexibility using chemical shifts
MV Berjanskii, DS Wishart
Accurate prediction of protein torsion angles using chemical shifts and sequence homology
S Neal, M Berjanskii, H Zhang, DS Wishart
A simple method to predict protein flexibility using secondary chemical shifts.
Berjanskii MV; Wishart DS
Automatic chemical profiling of wine by proton nuclear magnetic resonance spectroscopy
BL Lee, M Rout, Y Dong, M Lipfert, M Berjanskii, F Shahin, ...