Experimental Techniques To Measure Protein-Protein And Protein-Ligand Structure And Dynamics
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11.5 years ago
Flow ★ 1.5k

We would like to compare our simulation results with experimentation. When one wants to follow experimentally the dynamics (and possibly structure) of protein-protein or protein-ligand docking (involving both small and large conformational changes for the complex), which are the most useful hydrodynamic techniques? If not hydrodynamic, which others?

docking simulation • 3.2k views
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I'm not an expert in this, but that is my best guess, and possibly the best you can expect: wikipedia or google (ofc you have to select the appropriate technique) voila: http://en.wikipedia.org/wiki/Methods_to_investigate_protein%E2%80%93protein_interactions

While I share the general sentiment about the risk of encouraging dodgy answers, I still opt for re-opening this question. Odds are, that there are no experts of the caliber required to properly answer this interdisciplinary question on biology SE either.

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I think this is definitely a bioinformatics question. Please reopen.

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reopened - I often regret it when I close questions - in general feel free to reopen any question that I might close if you disagree

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This question appears to be off topic. The focus of this site is bioinformatics.

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We used bioinformatics methods to model a system and obtained some results. Now we would like to compare our prediction with real results, in a prospective study. If comparing modeling with reality is not bioinformatics, is something I do not need to discuss cause the answer is clear to me. Nevetheless, it would be great if somebody can recommend an alternative place to ask this question.

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There's obviously a wealth of bioinformatics and computational discussion that could occur in the process of comparing modeling and reality - especially given that "reality" (experiments, wet techniques) produces information of various kinds with various caveats, that bioinformatics people need to know and discuss. Unfortunately, if your question is not asked in just the right fashion you'll find an unbearably narrow scope of things which are allowed to be discussed here. I sympathize with you. You might give http://biology.stackexchange.com/ a try.

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I did that, thanks for the suggestion

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The problem with closing questions is that the act may be primarily perceived as a "bad question/go away" type of statement. But the way it should be interpreted is as a message that the people that frequent the site are unlikely to be able to help. Closing a question with an advice (and I did not do that correctly) brings some sort of "closure" to the issue and directs the original poster to try another source. I do think think that for an off topic question there is more value in closing the question than leaving it open and in an unfinished, limbo state.

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Bioinformatics is a multidisciplinary approach the comes from theory, computation and experimentation. Leaving any of this aspects out of the equation is not the way to solve real problems. Time judges whether questions are interesting or not. I quickly found more than 200 related entries with the word "experiment*" on the site, (http://www.biostars.org/search/?q=experiment), so perhaps you should consider closing all of them.

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11.5 years ago
Aloctavodia ▴ 30

NMR techniques could be useful. A simple NMR experiment will be to compare the chemical shift of the protein with and without the ligand. A more complex NMR experiment will be to measure NOEs and RDCs and determine the structure or use that information (and the docking) to interpret structural and dynamical properties. A recent paper about a new method to study protein-protein interactions is http://www.ncbi.nlm.nih.gov/pubmed/21909911 SAXS and FRET could also be useful, I guess.

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Yes, after reading the papers I think this is a very good direction to follow. It would be a breakthrough to develop a new experimental technique to follow dynamics in a more precise and easy to interpret way, who's next?

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