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:

  • The lowest-energy solution of the lowest ligand all-atom RMSD cluster was accepted as the calculated binding energy.

  • 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).

  • We were later able to readily distinguish between the correct and incorrect alignments when an all-atom scoring function was applied to the models constructed using both alignments, and justify the changes by detailed environment analysis.

  • The all-atom scoring function is the core of many aspects of this project where identification of native-like conformations is required.

  • 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.

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