Sentence examples for contact set of from inspiring English sources

The analysis of a contact set of compounds with known activity can directly provide the requirements needed for a search of compounds with the highest binding affinity.

In contrast to coulomb contact sets, the construction of subtrees for the HB contact sets of trypsin and thrombin did not result in an increase in clustering quality.

The clustering was efficient in cases where the difference between contact sets of active compounds and decoys was significant, while the presence of well-populated contacts for active compounds was additionally required for successful scoring.

Fingerprint heat map data representation allows for the identification of key contacts for groups of compounds, as well as easy comparison of contact sets for compounds of different structural families.

Define an interior grid point is a neighboring point if it is not in the contact set but one of its adjacent grid points is in the contact set.

As defined in Section 2.2, an interior grid point is a neighboring point when it is not in the contact set but one of its adjacent grid points is in the contact set.

Thus, the contact in the biological contact set was a part of the biological homo-dimer interface.

If used in a point-of- contact setting, the amount of extra time required to input appointment records would be marginal based on the authors' own experience in inputting records.

We consider the class of two or three-dimensional discrete contact problems in which a set of contact nodes can make frictional contact with a corresponding set of rigid obstacles.

In a scheduled contact-based CRANET, multiple contacts or the set of communication opportunities can be easily derived from the statistical data of a priori available contact.

For the imputation of contact characteristics like duration and usual frequency, we considered it unlikely that a single professional contact in a large set of such contacts would last longer than 4 hours and reoccur daily.