GROMOS96 43a1 performance in predicting oligosaccharide conformational ensembles within glycoproteins.
Fernandes CL, Sachett LG, Pol-Fachin L, Verli H.
Fernandes CL, et al. Among authors: verli h.
Carbohydr Res. 2010 Mar 30;345(5):663-71. doi: 10.1016/j.carres.2009.12.018. Epub 2009 Dec 28.
Carbohydr Res. 2010.
PMID: 20106471
In previous work [Pol-Fachin, L.; Fernandes, C. L.; Verli, H.; Carbohydr. Res.2009, 344, 491-500], we had demonstrated that GROMOS96 43a1 force field and Lowdin HF/6-31G * *-derived atomic charges, adequately represent a glycoprotein's conformational ensemble in aqu …
In previous work [Pol-Fachin, L.; Fernandes, C. L.; Verli, H.; Carbohydr. Res.2009, 344, 491-500], we had demonstrated that GR …