alexa Assessment of protein structure refinement in CASP9.
Chemical Engineering

Chemical Engineering

Journal of Advanced Chemical Engineering

Author(s): MacCallum JL, Prez A, Schnieders MJ, Hua L, Jacobson MP,

Abstract Share this page

Abstract We assess performance in the structure refinement category in CASP9. Two years after CASP8, the performance of the best groups has not improved. There are few groups that improve any of our assessment scores with statistical significance. Some predictors, however, are able to consistently improve the physicality of the models. Although we cannot identify any clear bottleneck in improving refinement, several points arise: (1) The refinement portion of CASP has too few targets to make many statistically meaningful conclusions. (2) Predictors are usually very conservative, limiting the possibility of large improvements in models. (3) No group is actually able to correctly rank their five submissions-indicating that potentially better models may be discarded. (4) Different sampling strategies work better for different refinement problems; there is no single strategy that works on all targets. In general, conservative strategies do better, while the greatest improvements come from more adventurous sampling-at the cost of consistency. Comparison with experimental data reveals aspects not captured by comparison to a single structure. In particular, we show that improvement in backbone geometry does not always mean better agreement with experimental data. Finally, we demonstrate that even given the current challenges facing refinement, the refined models are useful for solving the crystallographic phase problem through molecular replacement. Proteins 2011;. © 2011 Wiley-Liss, Inc. Copyright © 2011 Wiley-Liss, Inc.
This article was published in Proteins and referenced in Journal of Advanced Chemical Engineering

Relevant Expert PPTs

Relevant Speaker PPTs

Recommended Conferences

  • 6th World Congress on Biopolymers
    September 7-9, 2017 Paris, France
  • 2nd Euro Global Summit and Expo on Biomass
    September 21-22, 2017 Madrid, Spain
  • 7th International Congress on Biofuels and Bioenergy
    October 2-4, 2017 Toronto, Canada
  • 3rd International Conference on Chemical Engineering
    October 2-4, 2017 Chicago, USA
  • 7th International Conference and Exhibition on Biopolymers and Bioplastics
    October 19-21, 2017 San Francisco, USA
  • 6th International Congress on Biofuels, Bioenergy and Bioeconomy
    December 04-06, 2017 Sao Paulo, Brazil
Peer Reviewed Journals
 
Make the best use of Scientific Research and information from our 700 + peer reviewed, Open Access Journals
International Conferences 2017-18
 
Meet Inspiring Speakers and Experts at our 3000+ Global Annual Meetings

Contact Us

 
© 2008-2017 OMICS International - Open Access Publisher. Best viewed in Mozilla Firefox | Google Chrome | Above IE 7.0 version
adwords