Sentence examples for fit conformation from inspiring English sources

Finally, 10 compounds, which have structural diversity, proper binding modes and good fitness, were considered as the fit conformation.

Part of this loop region is highly mobile in the absence of ligand and thus suitable for an induced fit conformation.

With the best fit conformation, the Lys15 and Lys15' placed their Nε atom at hydrogen bonding distance (2.9 Å) from the carboxyl substituent of the inhibitor.

In silico docking studies were carried out to determine the binding interactions for the best fit conformations in the allosteric site of GK enzyme.

However, Lys15 and Lys15' of the AC and BD dimers showed weak electron density, indicating their flexibility, with their best fit conformations placing the Nε atom at hydrogen bonding distance (3.0 Å) from the carboxyl substituent of the inhibitor.

Two published models for monomeric apoA-I used cross-linking distance constraints to derive best fit conformations.

For an ensemble of N conformations generated for a peptide, the accuracy of the ensemble was represented by the RMSD of the best-fit conformation in the ensemble compared to the experimentally observed structure.

In this latter case, one additional pseudorotation wheel is created for each temperature depicting the relative population of the two fitted conformations for each set of {P, ν max } using contour levels.

Two criteria were used to assess the accuracy of the IQP-fitted conformations.

The putative substrate-binding pocket of the TXAS model fits the conformation of the TXAS-bound U44069 appropriately, but could not fit the free form of U44069.

In brief, using the free energy of RNA secondary structures for a given input sequence as the fitness function, the algorithm evolves a population of RNA conformers by exchanging parts of the conformers, inserting mutations in structural elements and selecting the best fit individual conformations resulting from these operations.