Amy Y. Shih, Anton Arkhipov, Peter L. Freddolino, Stephen G. Sligar, and Klaus Schulten. Assembly of lipids and proteins into lipoprotein particles. Journal of Physical Chemistry B, 111:11095-11104, 2007.
The interactions of the coarse-grained beads used in the 3D models are parameterized based on physical properties (reproduction of partitioning free energies between polar and apolar phases of chemical compounds) and as such represent realistic molecular interactions of protein and lipids in lipoprotein particles.
See related article:
Amy Y. Shih, Anton Arkhipov, Peter L. Freddolino, Stephen G. Sligar, and Klaus Schulten. Assembly of lipids and proteins into lipoprotein particles. Journal of Physical Chemistry B, 111:11095-11104, 2007.
tcbguiuc 2 years ago
Are the movements of your 3D models derived from actual data collected from these molecular interactions? Really quite fascinating
JKM12988 2 years ago
The interactions of the coarse-grained beads used in the 3D models are parameterized based on physical properties (reproduction of partitioning free energies between polar and apolar phases of chemical compounds) and as such represent realistic molecular interactions of protein and lipids in lipoprotein particles.
tcbguiuc 2 years ago
cooL
reavin21 3 years ago