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:

  • As shown in Table 1, the correlation coefficient significantly decreased from 0.87 at 0.1 ps to 0.74 at 10 ps as the all-atom flap RMSD increased from 0.54 to 3.30 at 0.1 and 10 ps, respectively.

  • Using the all-atom function alone to select native-like conformations is not likely to suffice when it is also used in the actual minimisation/search process, since all conformations generated in such searches represent local minima of this function.

  • 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.

  • Docking solutions with ligand all-atom RMSDs within 1.0 Å of each other were clustered together and ranked by the lowest energy representative.

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