Example sentences for: all-atom

How can you use “all-atom” in a sentence? Here are some example sentences to help you improve your vocabulary:

  • 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.

  • Docking solutions with ligand all-atom RMSDs within 1.0 Å of each other were clustered together and ranked by the lowest energy representative.

  • 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.

  • The results for the globin family are given in Figure 4. On average, using the all-atom function improves model quality by 0.8 Å C α RMSD compared to only using sequence identity.

  • The weight is computed using the all-atom scoring function [ 32 ] . Edges are then drawn between pairs of residues/nodes that are consistent with each other (i.e.

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