Protein structure prediction using gas phase molecular dynamics simulation : eotaxin-3 cytokine as a case study

• Main Authors: Ahmad Khairudin, Nurulbahiyah, A. Wahab, Habibah
• Format: Conference or Workshop Item
• Published: 2011
• Subjects: TP Chemical technology
• Online Access: http://eprints.utm.my/id/eprint/46186/
• Institution: Universiti Teknologi Malaysia

In the current work, the structure of the enzyme CC chemokine eotaxin-3 (1G2S) was chosen as a case study to investigate the effects of gas phase on the predicted protein conformation using molecular dynamics simulation. Generally, simulating proteins in the gas phase tend to suffer...