Can you discuss your experience in using molecular docking techniques?

Sample interview questions: Can you discuss your experience in using molecular docking techniques?

Sample answer:

  • Experience with a variety of molecular docking software:
  • Successfully employed programs such as AutoDock, AutoDock Vina, and Glide for virtual screening and lead optimization projects.
  • Proficient in using software features like flexible docking, induced fit docking, and molecular dynamics simulations.

  • Expertise in preparing protein and ligand structures for docking:

  • Generated high-quality protein structures through homology modeling, crystal structure refinement, and molecular dynamics simulations.
  • Performed ligand preparation tasks, including energy minimization, protonation state assignment, and removal of unwanted atoms.

  • Strong understanding of molecular docking theory and scoring functions:

  • Comprehend the principles underlying different scoring functions, including empirical, force field-based, and knowledge-based approaches.
  • Evaluated the accuracy and reliability of scoring functions through benchmark studies and validation experiments.

  • Ability to analyze and interpret docking results:

  • Analyzed docking poses for binding mode predictions, hydrogen bonding interactions, and hydrophobic contacts.
  • Identified key interactions responsible for ligand binding and selectivity.
  • Generated contour maps and heat maps to visualize the distribution of binding energies and interactions.

  • Exp… Read full answer


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