Words similar to all-atom

Example sentences for: all-atom

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We compared the performance of the all-atom scoring function to two sequence only metrics.
Table 5shows that particularly promising filters include the use of density-based scoring functions, hydrophobic compactness, all-atom pairwise preferences and match of the final conformation to the predicted secondary structure.
Comparative modelling and fold recognition: Alignment and template selection using all-atom scoring functions
We initially start with an all-atom conformation where the torsion values for residues predicted to be in helix/sheet by PSIPRED secondary structure prediction [ 38 ] are set to idealised values [ 33 ] . The remaining φ/ψ values are set in an extended conformation.
Even though our all-atom function is readily able to distinguish native-like conformations in certain scenarios, it is not adequate for large sets of decoys where the closest conformation generated is represented at the topological level (≈ 6.0 Å C α RMSD relative to the experimental result).