Open Access

ABSTRACT

Multi-Component Modal Analysis of Protein Structure

by G. Yoon¹, K. Bong², J. Kim³, I.H. Ahn⁴, S. Na⁶

1 Graduate Student, Dept. of Mechanical Eng.., Korea Univ., Korea
2 Graduate Student, Dept. of Mechanical Eng.., Korea Univ., Korea
3 Graduate Student, Dept. of Mechanical Eng.., Korea Univ., Korea
4 Graduate Student, Dept. of Mechanical Eng.., Korea Univ., Korea
5 Researcher, Microsystem Research Center, KIST, Seoul, Korea
6 Associate Professor, Dept. of Mechanical Eng., Korea Univ., Korea

The International Conference on Computational & Experimental Engineering and Sciences 2007, 2(2), 53-60. https://doi.org/10.3970/icces.2007.002.053

Abstract

This paper presents multi-component mode methodology applicable to biomolecular structures for understanding the dynamics of proteins. Even though the conventional normal mode analysis has been contributed for analyzing the dynamics and thermal fluctuations of proteins, it frequently encounters with the computational prohibition for large proteins due to memory requirement. To overcome the conventional computational limitations, the drawback motivates one to develop various model reduction methods, which reduces the degrees of freedom of the full model so as to decrease the computational expense, while the computational accuracy is maintained. Our results demonstrate that the multi-component modal analysis applied to the biomolecular structures predicts the dominant eigenmodes and fluctuation of proteins accurately with reducing the computational cost enormously.

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