computer simulation

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Across
  1. 3. interaction between two molecules that are not bonded
  2. 5. the qualitative property of a compound having the desired effect on a biological system
  3. 6. measure of pharmacokinetic and pharmacodynamic properties
  4. 8. A protein structure validation map
  5. 10. a method to assess the binding affinity between two molecules
  6. 13. It is measured in angstroms for protein structure
  7. 15. he set rules for drug likeliness
  8. 17. a zone of low sequence identity between target and the template
  9. 19. They get designed based on the gaps in the alignment
  10. 20. substituents or groups with similar physical or chemical properties which produce broadly similar biological properties to a chemical compound
  11. 21. This approach requires three-dimensional knowledge of the target structure
  12. 22. nonpeptide compound that has a similar shape and binding to the active site
  13. 23. A tool to perform homology modelling
Down
  1. 1. A drug targeting ACE
  2. 2. use classical type models to predict the energy of a molecule as a function of its conformation
  3. 4. The three-dimensional geometry of interaction features that a molecule possesses
  4. 7. regulator of drug industry
  5. 8. placing of an asymmetric functional group in the molecule
  6. 9. historical method of discovering and developing drugs
  7. 11. A database for pathways
  8. 12. a famous receptor in the cells
  9. 14. double-stranded 20 - 25 nucleotides
  10. 16. you perform this assay if you know the target
  11. 18. Substrate and the inhibitor fight for the site