Sentence examples for use of multiple conformers from inspiring English sources

This may be related to the use of multiple conformers per compound for 3-D clustering.

The filtering of multiple conformers can be turned off.

As a result, the ROCSSC slightly benefits from the additional information content of multiple conformers.

The effect of multiple conformers in solution on nucleation, growth rate and polymorphism is reviewed and methods for crystallizing substances present as slow inter-converting conformers in solution are proposed.

The phenomenon is likely related to the presence of multiple conformers of the peptide/MHCII complex.

However, the broad envelopes in 1D 1H NMR indicate the presence of a dynamic equilibrium of multiple conformers.

The present study investigated effects of using multiple conformers per compound upon the 3-D similarity values used by PubChem.

Table 2 Effect of using multiple conformers per compound on 3-D neighboring.

This was a control case with one rotatable bond to demonstrate the effect of using multiple conformers.

Since the geometric matching alignment and scoring method uses rigid conformations, multiple conformers of each query molecule must be generated.

While there are individual assays where an improvement is found (e.g., more AIDs with the average similarity of the NN pairs 2σ away from those of the random pairs in the case of CT and ComboT values), the use of the multiple-conformer approach does not make a noticeable improvement in the aggregate.