Analysis of the performance of the CHESHIRE and YAPP methods at CASD-NMR round 3 - Journal of Biomolecular NMR

• Cavalli A et al (2007) Protein structure determination from NMR chemical shifts. Proc Natl Acad Sci USA 104(23):9615–9620

  Article  ADS  Google Scholar 

• Cavalli A, Montalvao RW, Vendruscolo M (2011) Using chemical shifts to determine structural changes in proteins upon complex formation. J Phys Chem B 115(30):9491–9494

  Article  Google Scholar 

• Fu B et al (2014) ALMOST: an all atom molecular simulation toolkit for protein structure determination. J Comput Chem 35(14):1101–1105

  Article  Google Scholar 

• Guntert P, Mumenthaler C, Wuthrich K (1997) Torsion angle dynamics for NMR structure calculation with the new program DYANA. J Mol Biol 273(1):283–298

  Article  Google Scholar 

• Habeck M et al (2004) NOE assignment with ARIA 2.0: the nuts and bolts. Meth. Mol Biol 278:379–402

  Google Scholar 

• Herrmann T, Guntert P, Wuthrich K (2002) Protein NMR structure determination with automated NOE assignment using the new software CANDID and the torsion angle dynamics algorithm DYANA. J Mol Biol 319(1):209–227

  Article  Google Scholar 

• Jain A, Vaidehi N, Rodriguez G (1993) A fast recursive algorithm for molecular-dynamics simulation. J Comput Phys 106(2):258–268

  Article  MATH  ADS  Google Scholar 

• Moult J, et al (1995) A large-scale experiment to assess protein structure prediction methods. Proteins 23(3):ii–v

• Rosato A et al (2009) CASD-NMR: critical assessment of automated structure determination by NMR. Nat Methods 6(9):625–626

  Article  Google Scholar 

• Rosato A et al (2012) Blind testing of routine, fully automated determination of protein structures from NMR data. Structure 20(2):227–236

  Article  MathSciNet  Google Scholar 

• Shen Y et al (2009) TALOS+: a hybrid method for predicting protein backbone torsion angles from NMR chemical shifts. J Biomol NMR 44(4):213–223

  Article  Google Scholar 

• Siew N et al (2000) MaxSub: an automated measure for the assessment of protein structure prediction quality. Bioinformatics 16(9):776–785

  Article  Google Scholar 

• Zhang Z et al (2014) Robust and highly accurate automatic NOESY assignment and structure determination with Rosetta. J Biomol NMR 59(3):135–145

  Article  Google Scholar 

Download references

Authors and Affiliations

1. Department of Chemistry, University of Cambridge, Cambridge, CB2 1EW, UK

   Andrea Cavalli & Michele Vendruscolo

2. Institute for Research in Biomedicine (IRB), 6500, Bellinzona, Switzerland

   Andrea Cavalli

Corresponding author

Correspondence to Michele Vendruscolo.