The Proceedings of Mechanical Engineering Congress, Japan
Online ISSN : 2424-2667
ISSN-L : 2424-2667
2012
Session ID : BC-KR-5
Conference information
BC-KR-5 Coarse-Grained Computational Mechanics for Protein Dynamics
Jae In KimKilho EomSungsoo Na
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CONFERENCE PROCEEDINGS FREE ACCESS

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Abstract
Normal mode analysis(NMA) is an effective method for analyzing the dynamics of protein structures.Elastic network model(ENM) based NMA is widely adopted due to its simplicity and robustness.Despite the simplicity of ENM,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.In this research,we combine formerly introduced two methods in one process.By adopting these two methods it was possible to decrease computation time keeping the accuracy of predicting structural measures as similar as to ENM.
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© 2012 The Japan Society of Mechanical Engineers
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