Extension of the AMBER force field to cyclic α,α dialkylated peptides.
Grubišić S, Brancato G, Pedone A, Barone V.
Grubišić S, et al. Among authors: barone v.
Phys Chem Chem Phys. 2012 Nov 28;14(44):15308-20. doi: 10.1039/c2cp42713c. Epub 2012 Oct 10.
Phys Chem Chem Phys. 2012.
PMID: 23051698
Cimino, M. C. Menziani, O. Crescenzi and V. Barone, Phys. Chem. Chem. Phys., 2010, 12, 11697] this extension allows treating the TOAC residue (TOAC, 2,2,6,6-tetramethylpiperidine-1-oxyl-4-amino-4-carboxylic acid) widely used as a spin label in protein studies. ...
Cimino, M. C. Menziani, O. Crescenzi and V. Barone, Phys. Chem. Chem. Phys., 2010, 12, 11697] this extension allows treating t …