Sentence examples for molecular surface is from inspiring English sources

The molecular surface is approximated by iterative removal of boundary tetrahedrons from the outermost layers (i.e., tetrahedrons found at the interface between the molecule and the external environment).

Yet, since in COSMO-RS theory the 3D- distribution of the polarization charge density σ on the molecular surface is reduced to a histogram, the σ-profile, the initial approaches in this direction [3] mostly have disregarded the spatial distribution of surface polarities.

Considering the BSA molecular surface is rich in amino, carboxyl groups that can readily coordinate with heavy metal ions, maybe resulting in the fluorescence quenching of BSA-GNPs, we employed BSA-GNPs to detect Hg2+ by the fluorescence quenching in this work.

Molecular surface is also called the Connolly surface.

After the triangulated surface generation, one part of the molecular surface is in contact with outside space while the other part is buried inside the molecular solid.

The molecular surface is constructed as shown on the right panel of Figure 10, which is then segmented according to the chain information.

The area and the volume of molecular surface are calculated accurately.

MSMS (Michel Sanner's Molecular Surface) was later developed to compute both solvent accessible and molecular surface relying on the reduced surface [10].

Only contacts in which the side-chain is largely buried in a pocket on the mAb molecular surface are included in the motif, as these were shown in the previous study [30] to be neutralization-specific.

Side-chain contacting, but not buried in, the antibody molecular surface were shown by the previous study not to correlate with neutralization sensitivity (although they may still influence antibody binding).

Molecular surface was calculated using the DMS (Distributed Molecular Surface) program.