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Robust Reduction Method for Biomolecules Modeling

Kilho Eom1, Jeong-Hee Ahn2, Seung-Chul Baek2, Jae-In Kim2, Sungsoo Na2,3

Nano-Bio Research Center, Korea Institute of Science &Technology, Hawolgok-dong, Seongbuk-gu, Seoul, 136-791, Korea (e-mail: eomkh@kist.re.kr).
Department of Mechanical Enginrrering , Korea University, Anam-dong, Sungbuk-gu, Seoul, 136-713, Korea (e-mails: {shibuya, takeoff2, jay414, nass} @korea.ac.kr).
Corresponding author.

Computers, Materials & Continua 2007, 6(1), 35-42. https://doi.org/10.3970/cmc.2007.006.035

Abstract

This paper concerns the application and demonstration of robust reduction methodology for biomolecular structure modeling, which is able to estimate dynamics of large proteins. The understanding of large protein dynamics is germane to gain insight into biological functions related to conformation change that is well described by normal modes. In general, proteins exhibit the complicated potential field and the large degrees of freedom, resulting in the computational prohibition for large protein dynamics. In this article, large protein dynamics is investigated with modeling reduction schemes. The performance of hierarchical condensation methods implemented in the paper is compared with that obtained from full original model, successfully demonstrating robustness of reduction method. The examples presented in these results also show that the computational accuracy of reduction method is maintained, while computational cost is reduced.

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APA Style
Eom, K., Ahn, J., Baek, S., Kim, J., Na, S. (2007). Robust reduction method for biomolecules modeling. Computers, Materials & Continua, 6(1), 35-42. https://doi.org/10.3970/cmc.2007.006.035
Vancouver Style
Eom K, Ahn J, Baek S, Kim J, Na S. Robust reduction method for biomolecules modeling. Comput Mater Contin. 2007;6(1):35-42 https://doi.org/10.3970/cmc.2007.006.035
IEEE Style
K. Eom, J. Ahn, S. Baek, J. Kim, and S. Na "Robust Reduction Method for Biomolecules Modeling," Comput. Mater. Contin., vol. 6, no. 1, pp. 35-42. 2007. https://doi.org/10.3970/cmc.2007.006.035



cc This work is licensed under a Creative Commons Attribution 4.0 International License , which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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