Extension of the AMBER force field to cyclic α,α dialkylated peptides
Abstract
The popular biomolecular AMBER (ff99SB) force field (FF) has been extended with new parameters for the simulations of
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* Corresponding authors
a
Scuola Normale Superiore, piazza dei Cavalieri 7, I-56126 Pisa, Italy
E-mail:
sonja.grubisic@sns.it
b Center for Chemistry, IHTM, University of Belgrade, Njegoševa 12, P.O. Box 815, 11001 Belgrade, Serbia
c Dipartimento di Scienze Chimiche e Geologiche, Università di Modena e Reggio Emilia, via G. Campi 183, Modena, Italy
The popular biomolecular AMBER (ff99SB) force field (FF) has been extended with new parameters for the simulations of
S. Grubišić, G. Brancato, A. Pedone and V. Barone, Phys. Chem. Chem. Phys., 2012, 14, 15308 DOI: 10.1039/C2CP42713C
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