Water drives peptide conformational transitions

Details Water drives peptide conformational transitions Water drives peptide conformational transitions

2011-09-25

arxiv.org/abs/1109.5389v1

Physics

Biological Physics

Scientific paper

Transitions between metastable conformations of a dipeptide are investigated using classical molecular dynamics simulation with explicit water molecules. The distribution of the surrounding water at different moments before the transitions and the dynamical correlations of water with the peptide's configurational motions indicate that water is the main driving force of the conformational changes.

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