Significados de electrostatic potential en inglés

The simulations capture spontaneous substrate binding of GlpT, driven by the positive electrostatic potential of the lumen.

Starting from the linear Poisson-Boltzmann equation, we calculate the electrostatic potential and the energy of such a charge distribution.

Resulting changes in shape, hydrogen bonding, and electrostatic potential at the protein surface form a likely basis for signal transduction.

Moreover, molecular modelling allowed determining the electrostatic potential density maps and the hydrogen bonds of antibiotics and the glass matrix.

This expression can be viewed as representing the electrostatic potential generated by charges on a line in R 3 .

The net atomic charges and electrostatic potential isosurfaces also give additional input to evaluate chemical and physical properties in such systems.

The histidine residues of the AAA+ domains insert into a narrow minor groove region with enhanced negative electrostatic potential.

Comparing the electrostatic potential (EP) of the latter with the EP of A-98881 the aromatic residues show excellent accordance.

The influence of the metal coordination on the strength of the interaction has been studied using molecular electrostatic potential surface calculations.

These waters reside near Lys68, in an area with a positive electrostatic potential that is able to attract and orient negatively charged ligands.

A procedure to derive the electrostatic potential (ESP) for dynamic charge densities obtained from structure models or maximum-entropy densities is introduced.

In this paper, we examine the effect of increased positive electrostatic potential in the active site upon the catalytic process with the enzyme mutation, Glu49Gln.

Analysis of the helical peptide of PDCD5-(1-26) indicates that the surface of this well-formed alpha-helix has a unique electrostatic potential character.

Differences in the lipophilic and electrostatic potentials among the pockets were identified.

Inosine differs from guanine only by loss of the N2 amino group, while both bases have similar electrostatic potentials.

The ZrK-HSA complexations were analyzed using electrostatic potentials, the chemical nature of amino acid residues, binding free energies, and secondary structures as parameters.