|
|
|
|
All images and movies were made with VMD.
![]() |
High Density Lipoprotein Particle (Quicktime
Video, 8.1M)
The model surrounded a circular disk of 160 lipids, forming a bilayer, with two apoA-I proteins and 6000 water molecules, altogether a 46,000 atom system (more info) |
![]() |
Cytochrome C Oxydase (Quicktime
Video, 5.8M)
Diffusion of oxygen to the binuclear center studied by molecular dynamics simulations (more info) |
![]() |
Bacteriorhodopsin (Quicktime
Video, 1.6M)
Steered molecular dynamics, performed by applying a series of external forces to retinal, allow one to extract retinal from bR once the Schiff base bond to Lys216 is cleaved (more info) |
![]() |
Estrogen Receptor-DNA binding (Quicktime
Animation, 16.7M)
The estrogen receptor recognizes and binds specific sequences of DNA. Upon binding, the protein induces bending in the DNA axis (more info) |
![]() |
Kinesin (Quicktime
Video, 347k)
Conformational changes induced in the kinesin structure (blue) by the additional gamma phosphate (green) of ATP (more info) |
![]() |
Avidin-Biotin system (Quicktime
Video, 2.0M)
Forced unbinding of biotin from avidin (more info) |
![]() |
PLA2 (Quicktime
Movie, 4.8M)
Steered molecular dynamics of the action of human synovial protein phospholipase A2 (PLA2) at the lipid water interface (more info) |
![]() |
Elastic Rod model of DNA (Quicktime
Photo Movie, 7.0M)
Modeling of the DNA as an elastic rod allows to predict the shape of the connecting DNA loop, and to estimate the resulting stress for the Lac repressor operator (more info) |
![]() |
Prostaglandin H2 synthase-1
(Quicktime
Animation, 1.6M)
Molecular Dynamics simulations with external forces are employed to study the unbinding and binding of fatty acids in the cyclooxygenase (COX) site of this enzyme. (more info) |
![]() |
Unfolding of Titin (Quicktime
Animation, 2.5M)
Force-induced unfolding of titin immunoglobulin domains. (more info) |