Compared with the individual colloidal nanoparticles, programmable nanoassemblies well-defined configurations exhibit more prominent coupling effects and collective behaviors. The full realization of unique superiority these nano assemblies requires development feasible approaches to assemble nanoparticles into an organized nanostructure on substrates, which remains a major challenge in nanotec...

The transferability of atomic and functional group properties is an implicit concept in chemistry. The work presented here describes the use of Transferable Atom Equivalents (TAE) to represent molecular electrostatic potential fields through the use of integrated atomic multipole moments that are associated with each TAE atom type used in the reconstruction. TAE molecular surface distributions ...

PBEQ-Solver provides a web-based graphical user interface to read biomolecular structures, solve the Poisson-Boltzmann (PB) equations and interactively visualize the electrostatic potential. PBEQ-Solver calculates (i) electrostatic potential and solvation free energy, (ii) protein-protein (DNA or RNA) electrostatic interaction energy and (iii) pKa of a selected titratable residue. All the calcu...