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Solvent effects and conformational stability of a tripeptide

Fedorov, Maxim V. and Schumm, Stephan and Goodman, Jonathan M. (2006) Solvent effects and conformational stability of a tripeptide. In: Computational life sciences II. Lecture Notes in Computer Science . Springer-Verlag Berlin, Berlin, pp. 141-149. ISBN 3-540-45767-4

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Abstract

In this work we are trying to gain an insight on the molecular mechanisms of the salt effects on conformational stability of proteins with use of fully atomistic Molecular Dynamics simulations techniques. Such 'in silico' approach allows us to obtain quite realistic data on the time and scale resolutions that are unavailable for both 'in vitro' and 'in vivo' experimental techniques. We investigated a trialanine peptide which is the one of the simplest examples of biomolecules, bearing the essential features of proteins.

Item type: Book Section
ID code: 35661
Keywords: 2-dimensional vibrational spectroscopy, molecular-dynamics, Trialanine, water, transition, simulation, mechanism, proteins, Physics
Subjects: Science > Physics
Department: Faculty of Science > Physics
Related URLs:
    Depositing user: Pure Administrator
    Date Deposited: 09 Nov 2011 10:32
    Last modified: 06 Sep 2014 07:45
    URI: http://strathprints.strath.ac.uk/id/eprint/35661

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