APBSmem: A Graphical Interface for Electrostatic Calculations at the Membrane

APBSmem: A Graphical Interface for Electrostatic Calculations at the Membrane

Electrostatic forces are one of the primary determinants of molecular interactions. They help guide the folding of proteins, increase the binding of one protein to another and facilitate protein-DNA and protein-ligand binding. A popular method for computing the electrostatic properties of biological systems is to numerically solve the Poisson-Boltzmann (PB) equation, and there are several easy-...

Electrostatic View at the Interface.

A graphical interface for the FoldX forcefield

SUMMARY A graphical user interface for the FoldX protein design program has been developed as a plugin for the YASARA molecular graphics suite. The most prominent FoldX commands such as free energy difference upon mutagenesis and interaction energy calculations can now be run entirely via a windowed menu system and the results are immediately shown on screen. AVAILABILITY AND IMPLEMENTATION T...

Refraction at the Interface of a Lossy Metamaterial

The refraction phenomenon at the interface of an ordinary material and a lossy metamaterial has been investigated. For oblique incidence on the lossy metamaterial, the planes of constant amplitude of the refracted wave are parallel to the interface and the plane of constant phases make a real angle with the interface (real refraction angle). The real refraction angle and hence, the real refract...

Structural and Electrostatic Complexity at a Pentacene/Insulator Interface

The advancement of organic electronics for applications in solar-energy conversion, printed circuitry, displays, and solidstate lighting depends upon the optimization of a variety of organic-semiconductor interfaces. Organic-semiconductor/ insulator (O/I) interfaces, in particular, are critical to the operation of organic thin-film transistors (OTFTs) currently being developed for printed flexi...