Sentence examples for methods in structure from inspiring English sources

We then used Bayesian clustering methods in STRUCTURE V 2.3.3 to detect genetic structure [ 54].

Many methods in structure-based drug design, like virtual screening, scaffold hopping, and docking, are dealing with series of protein-ligand complexes.

Protein ligand docking is one of the most important methods in structure-based pharmaceutical development (Brooijmans and Kuntz 2003; Huang and Zou 2010; Jug et al. 2015; Moitessier et al. 2008; Zhao et al. 2014, 2016), and it is also an important approach for large-scale virtual screening.

Many protein and enzyme drug targets are intractable to the most sophisticated methods in structure-based drug design and discovery (SBDDD) in large part because a high degree of flexibility negates the use of one, or even a few, crystal structures in virtual screening or de novo design.

We estimated the likelihood of different numbers of clusters (K) in the data using the method in STRUCTURE version 2.0 [2.0.

Investigation of population structure with the model-based Bayesian clustering method in STRUCTURE showed that the most likely number of clusters (K) was 4 using the ΔK calculation (Additional file 8: Figure S5).

The accuracy of the presented all-physical model rivals the best statistical methods in secondary structure and secondary core structure prediction.

The variation in the surface properties and geometry between the GNP and GNR is due to functionalized or reacted by different methods, changes in structure, thermodynamic properties, and activity.

We used the individual-based Bayesian clustering methods implemented in STRUCTURE 2.3.3 (Pritchard et al. 2000) to infer population structure.

We used the individual-based Bayesian clustering methods implemented in STRUCTURE 2.3.3 (Pritchard et al. 2000) to estimate recent introgression from M. domestica into M. sylvestris.

We used fold recognition methods in a structure prediction metaserver [ 16].