Identification of amino acid residues of a designed ankyrin repeat protein potentially involved in intermolecular interactions with CD4: Analysis by molecular dynamics simulations

• Main Authors: Piyarat Nimmanpipug, Chalermpon Khampa, Vannajan Sanghiran Lee, Sawitree Nangola, Chatchai Tayapiwatana
• Format: Journal
• Published: 2018
• Subjects: Chemistry; Computer Science; Materials Science
• Online Access: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=80053909179&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/49812
• Institution: Chiang Mai University

We applied molecular dynamics simulations to investigate the binding properties of a designed ankyrin repeat protein, the DARPin-CD4 complex. DARPin 23.2 has been reported to disturb the human immunodeficiency virus (HIV) viral entry process by Schweizer et al. The protein docking simulation was ana...