Practice question

MCQ

Question

Trajectory of molecular dynamic simulation of a complex receptor-drug can be analyzed using (A) Root Mean Square Deviation (RMSD) of backbone with respect to time (B) Root Mean Square Fluctuation (RMSF) of amino acids during simulation (C) Change in radius of gyration with respect to time (D) Number of hydrogen bonds formed / broken down during the course of simulation Choose the correct answer from the options given below :

Options

Choose one · Correct answer highlighted

(A) only (A) and (B) only (A), (B) and (C) only (A), (B), (C) and (D) only Correct

Explanation

Molecular dynamics trajectories are evaluated via RMSD measuring overall structural deviation over time, RMSF indicating per-residue flexibility, radius of gyration reflecting compactness changes, and hydrogen bond counts assessing receptor-drug interaction stability throughout simulation.

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