Kilho Eom1, Jeong-Hee Ahn2, Seung-Chul Baek2, Jae-In Kim2, Sungsoo Na2,3
CMC-Computers, Materials & Continua, Vol.6, No.1, pp. 35-42, 2007, DOI: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… More >
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