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:

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 ] .
All models produced are refined using the Energy Calculation and Dynamics (ENCAD) package [ 36 ] . For a given protein sequence, there could be more than one all-atom model produced.
Table 2shows the all-atom RMSD between each simulated complex and the corresponding protease-inhibitor x-ray structure.
Table 3shows the number of docking solutions in a cluster ( N ) along with the all-atom ligand RMSD for each MD time scale.
MD simulation has been used to study the movement of the flap region of HIV-1 protease with a ligand [ 25 26 27 28 29 30 ] . The flaps initially opened to an all-atom RMSD of 25 Å within 200 ps and became completely open at the end of a 10 ns simulation.