Theoretical investigation on insulin dimer - b - cyclodextrin interactions using docking and molecular dynamics simulation

• Main Authors: Muhammad, Erma Fatiha, Adnan, Rohana, Mohammad Latif, Muhammad Alif, Abdul Rahman, Mohd Basyaruddin
• Format: Article
• Language: English
• Published: Springer Netherlands 2016
• Online Access: http://psasir.upm.edu.my/id/eprint/53117/1/Theoretical%20investigation%20on%20insulin%20dimer%20-%20b%20-%20cyclodextrin%20interactions%20using%20docking%20and%20molecular%20dynamics%20simulation.pdf; http://psasir.upm.edu.my/id/eprint/53117/

In our study, molecular docking and molecular dynamics (MD) simulations were performed in order to explore the interactions between human insulin and β-cyclodextrin (β-CD). Molecular docking study was performed using the Autodock v4.2 program to determine the number of β-CD molecules that adhere to...