Application of computational modelling to protein folding and aggregation studies.

Todorova, N, Hung, A and Yarovsky, I 2009, 'Application of computational modelling to protein folding and aggregation studies.', in Nikos E. Mastorakis, Anca Croitoru, Valentina Emilia Balas, Eduard Son and Valeri Mladenov (ed.) Proceedings of the 10th WSEAS Conference on Mathematics and Computers in Biology and Chemistry., Prague, Czech Republic,, March 23-25 2009, pp. 130-135.


Document type: Conference Paper
Collection: Conference Papers

Title Application of computational modelling to protein folding and aggregation studies.
Author(s) Todorova, N
Hung, A
Yarovsky, I
Year 2009
Conference name 10th WSEAS Conference on Mathematics and Computers in Biology and Chemistry
Conference location Prague, Czech Republic,
Conference dates March 23-25 2009
Proceedings title Proceedings of the 10th WSEAS Conference on Mathematics and Computers in Biology and Chemistry.
Editor(s) Nikos E. Mastorakis, Anca Croitoru, Valentina Emilia Balas, Eduard Son and Valeri Mladenov
Publisher World Scientific and Engineering Academy and Society WSEAS
Place of publication Stevens Point, USA
Start page 130
End page 135
Total pages 6
Abstract This paper describes computer modelling studies using classical Molecular Dynamics techniques and their derivative methods such as umbrella sampling and bias-exchange metadynamics to study protein behavior in various environments causing folding, unfolding and aggregation of proteins. We present applications related to two important proteins - insulin and apolipoprotein C-II (ApoC-II).
Subjects Theoretical and Computational Chemistry not elsewhere classified
Keyword(s) Protein Folding
Protein Aggregation
Molecular Dynamics Simulations
Umbrella Sampling
ISSN 1790-5125
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