Paper Citing NAMD - Abstract
Shamloo, Amir; Nikbin, Ehsan; Mehboudi, Nastaran; Damirchi, Behzad
HOMO-OLIGOMERIZATION OF TRANSMEMBRANE alpha-DOMAIN OF INTEGRIN
2014 36TH ANNUAL INTERNATIONAL CONFERENCE OF THE IEEE ENGINEERING IN MEDICINE AND BIOLOGY SOCIETY (EMBC), 1162-1165, 2014
Integrins contribute to form focal adhesions complex. Therefore, simulation of integrin interactions can be helpful in clarifying the mechanism of focal adhesion formation. Interactions of integrins can also initiate signal transduction in the focal adhesions. Since integrins contain a and beta subunits that are separated in an active state, studying both subunits separately is crucial, since, in the active state of integrins, the distance between these subunits is long enough that they do not influence one another significantly. Thus, this study aims to investigate the tendency of a subunits of integrins to form homodimers. All simulations were carried out via MARTINI coarse grain (CG) molecular dynamics technique. a subunits were placed in 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) lipid bilayer at a distance of 5 nm, and they were allowed to diffuse in the lipid bilayer. All simulations showed that a subunits have a tendency to form stable dimers.
