SHIFTS 5.5
:: DESCRIPTION
SHIFTS takes a protein structure in Brookhaven (PDB) format, and computes proton chemical shifts from empirical formulas. It can also compute N, C`alpha`, C`beta` and C’ shifts in proteins, using a database based on DFT calculations on peptides.
Advertisement
::DEVELOPER
:: SCREENSHOTS
N/A
:: REQUIREMENTS
:: DOWNLOAD
:: MORE INFORMATION
Citation
X.P. Xu and D.A. Case.
Probing multiple effects on 15N, 13Ca, 13Cb and 13C’ chemical shifts in peptides using density functional theory.
Biopolymers 65 408-423 (2002).