Identifying essential pairwise interactions in elastic network model using the alpha shape theory

• Main Authors: Koehl, Patrice, Lu, Lanyuan, Xia, Fei, Tong, Dudu, Yang, Lifeng, Wang, Dayong, Hoi, Steven C. H.
• Other Authors: School of Computer Engineering
• Format: Article
• Language: English
• Published: 2014
• Subjects: DRNTU::Engineering::Computer science and engineering::Computing methodologies::Simulation and modeling
• Online Access: https://hdl.handle.net/10356/99961; http://hdl.handle.net/10220/19660
• Institution: Nanyang Technological University

Elastic network models (ENM) are based on the idea that the geometry of a protein structure provides enough information for computing its fluctuations around its equilibrium conformation. This geometry is represented as an elastic network (EN) that is, a network of links between residues. A spring i...