Function, complete sets partner

Deduce and rank (by favorable energy) potential binding-type interactions for each of the functional groups when the molecule is in an aqueous phase and when it may be associating with a complete set of appropriate partners present within a receptor pocket or enzyme active site determine how energetically favorable this process might be overall. 

Each of these two types of approach may be combined with the optimisation of the form of the spatial orbitals A, in a technique reminiscent of MCSCF (see Chapter 22). Finally, of course, one could combine the two linear variation schemes to optimise both the spin function and the spatial partners. In this context it is useful to know when to stop, that is, when the set of spin functions and/or spatial configurations exhausts the capacity of the orbital basis and become linearly dependent. This corresponds to the limit set by a Cl calculation which uses all possible determinants (with common spin eigenfunctions) which can be generated from a given set of molecular orbitals. Again, group-theoretical or even simpler graphical rules are available for the determination of such completeness . ... 

Then follows a set of complicated behavioral responses (called courtship). The apparent functions of these are to (1) assure each partner that the other can produce the best possible offspring with the greatest chance of survival, and (2) to coordinate copulation, or coitus. For many species, a particular pattern of behavior is required for completion of the sex act, and any disruption of this behavioral pattern will not lead to successful fertilization. 

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