New paper in Science Magazine argues that computational models are worsening

Message boards : Rosetta@home Science : New paper in Science Magazine argues that computational models are worsening

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Jesse Viviano

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Message 80984 - Posted: 6 Jan 2017, 22:26:14 UTC

Please see http://arstechnica.com/science/2017/01/in-chemistry-computational-models-may-be-getting-worse/ and http://science.sciencemag.org/content/355/6320/49 for context. I do not know anything about how computational models in chemistry work, but I think that if the models used by Rosetta@home are a victim to this phenomenon that is causing many modern chemical models to fail that the ones used by Rosetta@home could be fixed.
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Message 81061 - Posted: 18 Jan 2017, 23:24:15 UTC - in response to Message 80984.  
Last modified: 18 Jan 2017, 23:25:15 UTC

The counterpoint to this is the consistently good results that Rosetta achieves in CASP. Since some of the CASP targets have been solved by methods such as X-ray crystallography, this means that they are correct, in the sense that they represent the true structure of the protein.

It then follows from this that if a "simulation" such as Rosetta is able to match the real structure accurately, it implies that it is not subject to the inaccuracies cited in those two articles.
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Message boards : Rosetta@home Science : New paper in Science Magazine argues that computational models are worsening



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