Application of conventional molecular dynamics simulation in evaluating the stability of apomyoglobin in urea solution

• Main Authors: Zhang, Dawei, Lazim, Raudah
• Other Authors: School of Physical and Mathematical Sciences
• Format: Article
• Language: English
• Published: 2017
• Subjects: Mutation; Simulation
• Online Access: https://hdl.handle.net/10356/83508; http://hdl.handle.net/10220/42648
• Institution: Nanyang Technological University

In this study, we had exploited the advancement in computer technology to determine the stability of four apomyoglobin variants namely wild type, E109A, E109G and G65A/G73A by conducting conventional molecular dynamics simulations in explicit urea solution. Variations in RMSD, native contacts and so...