Paper Citing NAMD - Abstract
Beretta, Giangiacomo; Artali, Roberto; Caneva, Enrico; Facino, Roberto Maffei
Conformation of the tridimensional structure of 1,2,3,4,6-pentagalloyl-beta-D-glucopyranose (PGG) by H-1 NMR, NOESY and theoretical study and membrane interaction in a simulated phospholipid bilayer: a first insight
MAGNETIC RESONANCE IN CHEMISTRY, 49:132-136, MAR 2011
1,2,3,4,6-Penta-O-galloyl-,beta-D-glucopyranose (PGG) is a polyphenolic compound found in substantial amounts in a number of medicinal herbs. We report (i) its conformational analysis by solution NMR and molecular dynamics calculation and (ii) theoretical study of its interaction with a model membrane bilayer. The galloyl groups B and E appear to play important roles in the interaction with the phospholipid bilayer. Copyright (C) 2011 John Wiley & Sons, Ltd.
