Multi-Component Modal Analysis of Protein Structure
G. Yoon1, K. Bong2, J. Kim3, I.H. Ahn4, K. Eom5, S. Na6
The International Conference on Computational & Experimental Engineering and Sciences, Vol.2, No.2, pp. 53-60, 2007, DOI: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 More >