Conformational transitions in the Ramachandran space of amino acids using the dynamic rotational isomeric state (DRIS) model

Abstract

The dynamic rotational isomeric state model is applied to predict the internal dynamics of the 20 amino acids. Transition rates between rotational isomeric states are calculated from molecular dynamics simulations of Gly–Gly–X–Gly–Gly peptides where X represents one of the 20 amino acids. Predicted relaxation times are in good agreement with fluorescence quenching rate measurements.