Sentence examples for map the intermolecular from inspiring English sources

A representative set of protein-protein complexes was used to systematically map the intermolecular landscape by grid-based docking.

15 A qualitative way to map the intermolecular interactions are Hirshfeld surfaces, 16 as presented in Figure 3 a for α-Me2Zn and Et2Zn (see also the Supporting Information).

The respective binding modes of proposed active drugs were analyzed using 3D protein ligand interaction fingerprints, which map out the intermolecular interactions between the ligand and protein binding pocket [74, 75].

The target function comprises the intermolecular PRE restraints for all three tagging sites, van der Waals repulsive term and a weak radius-of-gyration term applied to the entire dimer and to the dimer interface mapped by chemical shift perturbation.

The map encompasses intermolecular recognition and mechanisms of selectivity comprised by patterns of selective interactions and specific structural properties.

Combining with the frontier molecular orbital (FMO) and the electron density difference map (EDDM), intermolecular charge-transfer transition from B substituted fragment to N substituted fragment for 2a and 2b is concluded.

In addition, with the use of hydrogen-deuterium exchange mass spectrometry, the intermolecular binding sites can be mapped, which is beneficial for further improving the design of molecules (Iacob et al., 2013; Moorthy et al., 2014).

Crystal structure analysis of complex 1 using the cif file was generated by Hirshfeld Surface, to analysis the intermolecular interactions then illustrated the fingerprint map of atomsinside/atomoutside interactions of molecules.

A proof of concept for the intermolecular LRET assay.

The scattering vector along the intermolecular stacking direction decreases from P1 to P5.

It results from the intermolecular regularity.