benchmark

Determination of solution structures of proteins up to 40 kDa using CS-Rosetta with sparse NMR data from deuterated samples

Submitted by olange on Sun, 06/10/2012 - 22:39

[Lange2012b] Lange OF, Rossi P, Sgourakis NG, Song Y, Lee H-W, Aramini JM, Ertekin A, Xiao R, Acton TB, Montelione GT et al.. 2012. Determination of solution structures of proteins up to 40 kDa using CS-Rosetta with sparse NMR data from deuterated samples. Proc Nat Am Soc. (in press)

Accurate Automated Protein NMR Structure Determination Using Unassigned NOESY Data

Submitted by olange on Thu, 04/26/2012 - 15:30

[Raman2010b] Raman S, Huang YJ, Mao B, Rossi P, Aramini JM, Liu G, Montelione GT, Baker D. 2010. Accurate Automated Protein NMR Structure Determination Using Unassigned NOESY Data. J. Am. Chem. Soc.. 132(1):202-207.

Protein structure determination from pseudocontact shifts using ROSETTA.

Submitted by olange on Thu, 04/26/2012 - 14:33

[Schmitz2012a] Schmitz C, Vernon R, Otting G, Baker D, Huber T. 2012. Protein structure determination from pseudocontact shifts using ROSETTA.. J Mol Biol. 416(5):668-677.

Resolution-adapted recombination of structural features significantly improves sampling in restraint-guided structure calculation.

Submitted by olange on Thu, 04/26/2012 - 14:33

[Lange2012a] Lange OF, Baker D. 2012. Resolution-adapted recombination of structural features significantly improves sampling in restraint-guided structure calculation.. Proteins. 80(3):884-895.

Blind testing of routine, fully automated determination of protein structures from NMR data.

Submitted by olange on Thu, 04/26/2012 - 14:33

[Rosato2012a] Rosato A, Aramini JM, Arrowsmith C, Bagaria A, Baker D, Cavalli A, Doreleijers JF, Eletsky A, Giachetti A, Guerry P et al.. 2012. Blind testing of routine, fully automated determination of protein structures from NMR data.. Structure. 20(2):227-236.

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This problem can arise when

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Tutorial: (Re-)Scoring of Structures is now updated

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quick install

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pick_fragments error

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homologuous sequences

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