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:

We compared the performance of the all-atom scoring function to two sequence only metrics.
Docking solutions with ligand all-atom RMSDs within 1.0 Å of each other were clustered together and ranked by the lowest energy representative.
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.
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.
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.