Application of Computational Modelling to Protein Folding and Aggregation Studies
نویسندگان
چکیده
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). Key-Words: Protein Folding, Protein Aggregation, Molecular Dynamics Simulations, Umbrella Sampling
منابع مشابه
Molecular modelling of peptide folding, misfolding and aggregation phenomena
....................................................................................................................................1 1. Computational studies of protein folding and aggregation ..........................................3 1.1 Overview ....................................................................................................................3 1.2 Protein structure..........
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