A 3-D Coarser-Grained Computational Model for Simulating Large Protein Dynamics
- Authors
- Kim, Jae-In; Jang, Hyoseon; Ahn, Jeong-Hee; Eom, Kilho; Na, Sungsoo
- Issue Date
- 2월-2009
- Publisher
- TECH SCIENCE PRESS
- Keywords
- Protein Dynamics; Elastic Network Model; Coarser-Grained Anisotropic Model; Low-Frequency Mode
- Citation
- CMC-COMPUTERS MATERIALS & CONTINUA, v.9, no.2, pp.137 - 151
- Indexed
- SCIE
SCOPUS
- Journal Title
- CMC-COMPUTERS MATERIALS & CONTINUA
- Volume
- 9
- Number
- 2
- Start Page
- 137
- End Page
- 151
- URI
- https://scholar.korea.ac.kr/handle/2021.sw.korea/120695
- ISSN
- 1546-2218
- Abstract
- Protein dynamics is essential for gaining insight into biological functions of proteins. Although protein dynamics is well delineated by molecular model, the molecular model is computationally prohibited for simulating large protein structures. In this work, we provide the three-dimensional coarser-grained anisotropic model (CGAM), which is based on model reduction applicable to large protein structures. It is shown that CGAM achieves the fast computation on low-frequency modes, quantitatively comparable to original structural model such as elastic network model (ENM). This indicates that the CGAM by model reduction method enable us to understand the functional motion of large proteins with remarkable computational efficiency.
- Files in This Item
- There are no files associated with this item.
- Appears in
Collections - College of Engineering > Department of Mechanical Engineering > 1. Journal Articles
Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.