BC-KR-5 Coarse-Grained Computational Mechanics for Protein Dynamics

Jae In Kim, Kilho Eom, Sungsoo Na
2012 The Proceedings of Mechanical Engineering Congress Japan  
Normal mode analysis (NMA) is an effective method for analyzing the dynamics of protein structures. Elastic network model (ENptO based NMA is widely adopted due to its simplicity and robustness. Despite the simplicity ofENM, still long computation time is needed for supra molecular protein structures. We extended ENM with coarse-graining methods such as condensation and component mode synthesis.
doi:10.1299/jsmemecj.2012._bc-kr-5-1 fatcat:iacdfwhm5rbf5lljsdnlbrlryu