S-Space College of Engineering/Engineering Practice School (공과대학/대학원) Dept. of Mechanical Aerospace Engineering (기계항공공학부) Theses (Master's Degree_기계항공공학부)
Automated Procedure for FE-based Modular Analysis of Biomolecular Structures
유한요소기반 생체분자구조물 모듈화 해석의 자동화 기법
- 공과대학 기계항공공학부
- Issue Date
- 서울대학교 대학원
- biomolecular structure; protein; finite element method; component mode synthesis; Craig-Bampton method; eigenvalue error estimator
- 학위논문 (석사)-- 서울대학교 대학원 : 기계항공공학부, 2016. 2. 김도년.
- Dynamic behavior of biomolecular structures plays an essential role in a variety of way in living organism. Molecular dynamics simulation provide valuable information about dynamic characteristic of biomolecular structure but time and length scale have limits due to computational complexity. Therefore, coarse-grained modeling techniques such as elastic network model and finite element model have been successfully used for analysis of dynamic properties of biomolecular structures. However, analysis of biomolecular structure which have high molecular weight is still challenging even using these coarse-grained modeling approaches due to its huge number of DOFs. In order to handle this problem, I introduce component mode synthesis (CMS) that is a popular reduced order modeling technique to generate reduced model. Reduced model consist of subunits whose dynamics is dominated by low frequency normal modes of substructure. In this study I suggest an automated procedure for FE-based dynamic analysis of biomolecular structures applying the Craig-Bampton method, a widely used CMS, and relative eigenvalue estimator to determine the proper number of low-frequency normal mode dominating dynamics of biomolecular structures.