I have two main modeling research lines: one related to structural biology (including rational drug design, de novo design, polymorphism, etc.) and the other one related to condensed matter (nanostructures, crystals, etc.).

Any time I submit a manuscript in the biological area, either the editors or the reviewers ask for experimental validation, even when we use very well established simulation tools to make the predictions (here we work only with small molecules and proteins, not with living organism simulations). On the other hand, when submitting a manuscript in the condensed matter area, we never received that complaint.

What are some of the theoretical results in matter modeling that correctly predict experimental results and can be the cause for the confidence and reliability of the predictions made?

  • $\begingroup$ The first two paragraphs (and title) are about a comparison between structural biology and condensed matter, but the last paragraph (in bold, and actually with a question mark) asks for examples where matter modeling successfully predicted an experimental result. So what are you looking for here? Dirac's equation predicted the positron in 1928, and this turned out to be a successful prediction of its 1929 observation by Dmitri Skobeltsyn. I could turn that into an answer, and we can maybe have a list of dozens of examples from other people. It would be a good resource: couldn't find on google. $\endgroup$ Jul 29 '20 at 2:26
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    $\begingroup$ @NikeDattani I think the bolded question is just to give a more concrete direction for an answer, but isn't necessarily required. I think the crux of the question is something like "why are condensed matter predictions considered on par with experiment, while structural biology modeling receives more skepticism?" $\endgroup$
    – Tyberius
    Jul 29 '20 at 21:03
  • $\begingroup$ You nailed it @Tyberius. Please, feel free to edit the question. $\endgroup$
    – Camps
    Jul 29 '20 at 22:58
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    $\begingroup$ I don't think drug discovery can be equated with structural biology. I'm curious to know for what properties they demand you obtain experimental data in the case of structural biology. $\endgroup$
    – Buck Thorn
    Jul 30 '20 at 18:09

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