Bernardino, K.Pinto, M. E.F. [UNESP]Bolzani, V. S. [UNESP]De Moura, A. F.Batista, J. M.2018-12-112018-12-112017-01-01Chemical Communications, v. 53, n. 53, p. 7337-7340, 2017.1364-548X1359-7345http://hdl.handle.net/11449/169874A simple MD-based protocol is presented to accurately predict both the sequence and order of disulfide bond formation in proteins containing multiple cysteine residues. It provides a detailed description of their dynamical and structural features, which can be used to perform ensemble-Averaged ECD calculations. Plant cyclotides are used as model compounds.7337-7340engArtigo10.1039/c7cc02333bAcesso restrito2-s2.0-85021626553