Entropy driven key-lock assembly.
The effective interaction between a sphere with an open cavity (lock) and a spherical macroparticle (key), both immersed in a hard sphere fluid, is studied by means of Monte Carlo simulations. As a result, a two-dimensional map of the key-lock effective interaction potential is constructed, which leads to the proposal of a self-assembling mechanism: There exists trajectories through which the key-lock pair could assemble avoiding trespassing potential barriers. Hence, solely the entropic contribution can induce their self-assembling even in the absence of attractive forces. This study points out the solvent contribution within the underlying mechanisms of substrate-protein assemblydisassembly processes, which are important steps of the enzyme catalysis and protein mediated transport.
Odriozola
G
G
Programa de Ingenieria Molecular, Instituto Mexicano del Petroleo, Lazaro Cardenas 152, CP 07730 Mexico, D.F., Mexico.
Jiménez-Angeles
F
F
Lozada-Cassou
M
M
D019277:Entropy; D007700:Kinetics; D009010:Monte Carlo Method; D011485:Protein Binding; D012997:Solvents / Q000737:chemistry
D012997:Solvents