The investigation of the folding pathway of trp-cage miniprotein using explicit solvent molecular dynamics simulation

• Main Authors: Ahmad Khairudin, Nurul Bahiyah, Mohamed Tap, Fatahiya
• Format: Conference or Workshop Item
• Language: English
• Published: 2015
• Subjects: QD Chemistry
• Online Access: http://eprints.utm.my/id/eprint/61209/1/NurulbahiyahAhmadKhairudin2015_TheInvestigationoftheFoldingPathwayofTrp-CageMiniprotein.pdf; http://eprints.utm.my/id/eprint/61209/
• Institution: Universiti Teknologi Malaysia

The objective of this study is to investigate the folding pathway of Trp-cage miniprotein. The structure and trajectories of this protein has been studied using Molecular Dynamics (MD) simulation. The simulation was run at 300K for 250ns. Clustering analysis was conducted to group the trajectories...