Description of metal and aromatic interactions in protein ligand interacions

Question

In the case of ligand protein interactions, and where there are not chemical reactions involved, I would like to know which are the most realistic approaches for describing metal and aromatic interactions, taking into account computation time. Of course ab initio Quantum Mechanics could describe very precisely how a 10 atoms ligand interacts with a 10000 atoms protein, but it would take and enormous amount of time.

If this is not the right forum, please tell me where could I post this.

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Comments

While the question might be on-topic, in the current form is way to broad/vague (What is your specific problem, which effects do you want to investigate, etc?). Moreover, this is a Q&A site, so searching for _an opinion_ (instead of _an answer_) is not recommended (see [FAQ](http://theoreticalphysics.stackexchange.com/faq)).

This post has been migrated from (A51.SE)