Words similar to all-atom

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:

These structures also have low (≅ 0.3 Å) average all-atom root mean square deviations (RMSD) relative to the experimental results.
Generally, the lowest binding energy clusters are associated with the lowest all-atom RMSDs of the ligands.
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 scoring functions used for the final filtering include the all-atom function [ 32 ] , hydrophobic compactness [ 40 ] , a simple residue-residue contact function [ 44 ] , a density-scoring function that is based on the distance of a conformation to all its relatives in the conformation pool, contact order [ 45 ] , a secondary structure based scoring function that evaluates the match between the predicted structure and the secondary structure of a final energy-minimised conformation, and standard physics-based electrostatics and Van der Waals terms [ 46 ] .
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).