Abstract

Proteins composed of several amino acids are essential for maintaining the phenomena of life. Molecular dynamics (MD) simulation is one of the most popular computational tools for investigating biological functions of proteins. However, despite its widespread use, it is still limited to carrying out long timescale simulations such as protein folding and large conformational changes. To overcome these problems, various accelerated MD techniques have been proposed. Among them, bond-boost method (BBM) adds a bias potential in order to lower energy barrier of the given system.

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