Please use this identifier to cite or link to this item: http://hdl.handle.net/20.500.12779/4906
Title: Solution structure of folic acid. Molecular Mechanics and NMR investigation
Authors: Bonechi, Claudia 
Donati, Alessandro 
Lampariello, LUCIA RAFFAELLA
Rossi, Claudio 
Picchi, MARIA PIA
M., Ricci
C., Rossi
Keywords: folic acid; CORMA; molecular dynamic calculations; conformational analysis
Issue Date: 2004
Project: None 
Journal: SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
Abstract: 
he structure of folic acid in solution was investigated by nuclear magnetic resonance (NMR) and theoretical calculations. Dynamical information and geometrical constraints were obtained by carbon-13 relaxation study, homo-nuclear NOESY spectra and hetero-nuclear 1H–13C NOE experiments. This set of experimental data was used for the molecular mechanics and molecular dynamic calculations. The accuracy of the final structure was established by the RNMR factor, which was calculated comparing the experimental NOESY cross-peaks intensities and the corresponding values simulated by using the complete relaxation matrix analysis (CORMA) approach
Description: 
36381
URI: http://hdl.handle.net/20.500.12779/4906
ISSN: 1386-1425
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