Molecular Symmetry Governs Surface Diffusion

Molecular symmetry governs surface diffusion.

In chemistry and physics symmetry principles are all important, for example, leading to the selection rules governing optical transitions. We have investigated the influence of the molecular symmetry on the surface potential landscape of molecules in the limit of weak molecule-substrate binding. For this purpose, the induced lateral motion of Cu(II)-tetraazaphthalocyanine molecules, for which f...

Mechanical surface tension governs membrane thermal fluctuations.

We use analytical considerations and computer simulations to show that the membrane spectrum of thermal fluctuations is governed by the mechanical and not the intrinsic tension. Our study highlights the fact that the commonly used quadratic approximation of the Helfrich effective Hamiltonian is not rotationally invariant. We demonstrate that this nonphysical feature leads to a calculated mechan...

Molecular Recognition by a Polymorphic Cell Surface Receptor Governs Cooperative Behaviors in Bacteria

Cell-cell recognition is a fundamental process that allows cells to coordinate multicellular behaviors. Some microbes, such as myxobacteria, build multicellular fruiting bodies from free-living cells. However, how bacterial cells recognize each other by contact is poorly understood. Here we show that myxobacteria engage in recognition through interactions between TraA cell surface receptors, wh...

Ligand Diffusion on Protein Surface Observed in Molecular Dynamics Simulation.

The process of binding of small ligands to dihydrofolate reductase protein has been investigated using all-atom molecular dynamics simulations. The existence of a mechanism that facilitates the search of the binding site by the ligand is demonstrated. The mechanism consists of ligand diffusing on the protein's surface. It has been discussed in the literature before, but has not been explicitly ...

Molecular Dynamics and Stochastic Simulations of Surface Diffusion