(continued)
(d) What are the advantages and disadvantages of using molecular mechanics
to model molecular structures?(3) Outline the steps you would take in order to create a molecular mechanics
model of aspirin.(4) Explain the significance of the terms: global and local minimum energy
conformations.(5) Describe, in outline only, what is meant by; (a) molecular dynamics and (b)
docking.(6) (a) What is the principle that forms the basis of the quantum mechanical
approach to molecular modelling?(b) State and name the equation that is the starting point of the wave mech-
anical approach to molecular modelling.(c) What are the major advantages and disadvantages of the quantum mech-
anical approach to molecular modelling?QUESTIONS 111