Pinpointing disulfide connectivities in cysteine-rich proteins

Chemical Communications : Chem Comm
K BernardinoJ M Batista Junior

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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Citations

May 15, 2018·Journal of Natural Products·Meri Emili F PintoVanderlan S Bolzani
Jan 6, 2021·Journal of Natural Products·Meri Emili F PintoDavid J Craik

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