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In modelling using molecular mechanics can one state that "all structural variations are energy driven?".

The statement is related to protein-ligand binding in modelling. Sometimes one can assess system by looking at structural stability on one hand but also on energy values. If all structure variations are energy driven, I think it makes more sense to focus more on energy than structure.

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    $\begingroup$ I don't understand either. In ambient conditions the structure is "driven" by the free energy, which also includes entropy! $\endgroup$
    – Susi Lehtola
    Sep 21, 2020 at 18:07
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    $\begingroup$ I might buy that all structural variations are driven by the gradient of the energy... $\endgroup$
    – jheindel
    Sep 22, 2020 at 3:51
  • $\begingroup$ @jheindel any literature reference on that? $\endgroup$
    – BND
    Oct 17, 2020 at 5:33
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    $\begingroup$ @BND no, when someone says "I might buy", it means they don't have a literature reference but they can believe it (although they are not 100% sure). This question can be re-opened if it's modified/improved, or if someone writes a comment saying that they'd like to answer it. $\endgroup$
    – Nike Dattani
    Dec 28, 2020 at 3:55

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