Pinpointing disulfide connectivities in cysteine-rich proteins
K Bernardino1, M E F Pinto, V S Bolzani
1Department of Chemistry, Federal University of São Carlos - UFSCar, São Carlos, SP 13565-905, Brazil. joaombj@hotmail.com.
Abstract:
A 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.
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