Color-coded computer graphics representations of the electrostatic potentials of trypsin, trypsin-inhibitor, prealbumin and its thyroxine complex, fragments of double-helical DNA, and a netropsin-DNA complex illustrate the electrostatic and topographic complementarity in macromolecule-ligand interactions. This approach is powerful in revealing intermolecular specificity and shows promise of hav...

The electrostatic properties of genome DNA influence its interactions with different proteins, in particular, the regulation of transcription by RNA-polymerases. DEPPDB--DNA Electrostatic Potential Properties Database--was developed to hold and provide all available information on the electrostatic properties of genome DNA combined with its sequence and annotation of biological and structural p...

E-2-Arylmethylen-1- tetralones and E-3-phenylme thylene chromanone-4-ones and their derivatives closely related to flavonoids belong to the plant secondary metabolites most investigated recently.The class of flavonoids is an enormous class of plant secondary metabolites having so different pharmacological effects as inhibition of nitric oxide synthasecancer preventive effect or potential impact...

The three dimensional reference interaction site model integral equation theory (3D­RISM) combined with the ab initio molecular orbital method (3D­RISM­ SCF) is applied to a solvated macro molecular system. The solvation structure around a solute molecule is obtained from the 3D­RISM integral equation under the electrostatic potential of the solute molecule, calculated by the ab initio molecula...

Pronounced improvements in the understanding of semiconductor device performance are expected if electrostatic potential distributions can be measured quantitatively and reliably under working conditions with sufficient sensitivity and spatial resolution. Here, we employ off-axis electron holography to characterize an electrically-biased Si p-n junction by measuring its electrostatic potential,...