Binding of anti-apoptotic Bcl-2 with different BH3 peptides : a molecular dynamics study

• Main Authors: Zhang, Dawei, Liu, Huihui, Cui, Jinglan
• Other Authors: School of Physical and Mathematical Sciences
• Format: Article
• Language: English
• Published: 2018
• Subjects: Binding Energy; Peptides
• Online Access: https://hdl.handle.net/10356/87743; http://hdl.handle.net/10220/45473
• Institution: Nanyang Technological University

In this work, molecular dynamics simulation and free energy calculations are utilized to study how different BH3 peptides originating from Bax, Bim, Bik and Noxa interact with Bcl-2, one of the main members of anti-apoptotic proteins. The effects of peptide length, sequence and helical content on th...