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 lowest-energy solution of the lowest ligand all-atom RMSD cluster was accepted as the calculated binding energy.

  • 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 all-atom scoring function is the core of many aspects of this project where identification of native-like conformations is required.

  • 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.

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