YETI force field

Clearly, the YETI force field is a very complicated approach to solving equally complicated problems. As such, it illustrates well the problems that must be addressed in inorganic modeling that simply do not occur in organic modeling. The primary problem addressed in Vendani s work is the variable coordination number of Zn and Co in carbonic anhydrase. The YETI program obviates some of these problems, but it is not apparent that the solution can be transferred to other metal systems. Nonetheless, useful results are obtained for the metalloenzymes and model systems for which the method was developed. 

YETI [198] is a force field designed for the accurate representation of nonbonded interactions. It is most often used for modeling interactions between biomolecules and small substrate molecules. The molecular geometry optimization for the component molecules is not previewed so that it has been obtained from some other source, such as AMBER. Then YETI is used to model the docking. 

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