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:

  • Comparative modelling and fold recognition: Alignment and template selection using all-atom scoring functions

  • The scoring function for minimisation is primarily a combination of the all-atom function, a hydrophobic compactness function, and a bad contacts function [ 40 ] . The primary search technique we used was a Metropolis Monte Carlo (MC) procedure where conformations are accepted or rejected based on the Boltzmann's equation [ 41 ] . Each trajectory was allowed 50,000 iterations, starting with a high temperature such that 99% of the moves were accepted for the first 1000 steps and "cooled" linearly until only 1% of the moves were accepted for the last 100 steps.

  • 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.

  • Generally, the lowest binding energy clusters are associated with the lowest all-atom RMSDs of the ligands.

  • Table 3shows the number of docking solutions in a cluster ( N ) along with the all-atom ligand RMSD for each MD time scale.


How many words do you know? Try our free vocabulary size test!


Search

Search for example sentences

Loading Loading...
Quantcast