Molecular dynamic simulations of the αVβ3 integrin exposed to unidirectional force. The ectodomain of the αVβ3 integrin (αV is shown in blue and β3 integrin is shown in red) in which a 200 kJ mol-1 nm-1 force parallel to the membrane was applied on the βA domain of the head region of the inactive form. Water and ions are omitted for clarity. The integrin Calf-2 and β-tail domains were restrained to mimic the cell membrane (see Methods for more details).
Ioannis Xanthis, Celine Souilhol, Jovana Serbanovic-Canic, Hannah Roddie, Antreas C. Kalli, Maria Fragiadaki, Raymond Wong, Dhruv R. Shah, Janet A. Askari, Lindsay Canham, Nasreen Akhtar, Shuang Feng, Victoria Ridger, Jonathan Waltho, Emmanuel Pinteaux, Martin J. Humphries, Matthew T. Bryan, and Paul C. Evans
J Cell Sci
2019. 132:None-None; doi: 10.1242/jcs.229542