Aggregation and solvent electrostriction in a simple dipeptide: a molecular dynamics investigation

Condensed Matter lunchtime seminar

Aggregation and solvent electrostriction in a simple dipeptide: a molecular dynamics investigation

  • Event time: 1:00pm
  • Event date: 9th March 2009
  • Speaker: Paul Tulip (Formerly School of Physics & Astronomy, University of Edinburgh)
  • Location: Room 2511,

Event details

Understanding the aggregation of peptides is of both biomedical and technological significance: diseases such as Alzheimer's and Creutzfeldt-Jakob's are believed to occur owing to aggregation of prion peptides, whilst manipulation of the aggregation process offers the possibilities of new biological materials. There is, therefore, a strong motivation to possess, at the molecular level, a detailed description of the mechanisms by which proteins and peptides aggregate. In this work, I will discuss recent work on the simple dipeptide glycyl-l-alanine, which has recently been the subject of neutron diffraction studies (McLain <i>et al</i>, Eur. Biophys. J. 37, 647 (2007), McLain <i>et al</i>, Ang. Chem. Int. Ed. 47, 9059 (2008)). This is a prototypical peptide system that can be simulated using atomistic molecular dynamics, thereby permitting a detailed structural investigation to be undertaken. In particular, I focus upon aggregation and its effect upon the water structure. It is found that the water structure resembles that of high-pressure water, a result with possible implications for the aggregation process.

This is a weekly series of informal talks given primarily by members of the soft condensed matter and statistical mechanics groups, but is also open to members of other groups and external visitors. The aim of the series is to promote discussion and learning of various topics at a level suitable to the broad background of the group. Everyone is welcome to attend..

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