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Application of computational modelling to protein folding and aggregation studies

Journal article published in 2009 by Nevena Todorova, Irene Yarovsky, Andrew Hung ORCID
This paper is available in a repository.
This paper is available in a repository.

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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).