Their lyotropic behaviour will be discussed in connection with their molecular shape and, should it be the case, the role of the metal emphasised.
Because ROCS uses atom-centered Gaussian functions to describe the molecular shape [19, 20], it can perform a rapid shape superposition without a considerable loss of accuracy, compared to when the hard-sphere volumes is employed.
Practical applications: The simple concept of lipid molecular shape and how it impacts on the structure of lipid aggregates, in particular the curvature and curvature stress in lipid bilayers and liposomes, can be exploited to construct liposome-based drug-delivery systems, e.g., for use as nano-medicine in cancer therapy.
To characterize its molecular shape, we negatively stained the full-length Sirt1 protein and analysed it by EM.
These results imply that molecular shape information is not effective as it is for the previous two datasets.
However, as with many other three dimensional methods, it is often said that the problem of calculating molecular shape is not only a very challenging task, it is also time consuming.
To understand the molecular shape of MG23, we reconstructed its 3D structure by the single-particle reconstruction technique.
Shape-it uses 3D Gaussians to describe the molecular shape [47].
So despite the ubiquity of structural representations of molecules, it turns out that even the notion of molecular shape is not ambiguous.
In this respect, the time-averaged molecular shape of ME in the fluid phase can be considered rod-like, thus it has a CPP value of approximately 1 and favors the formation of planar bilayers at room temperature.
