Rosetta in CAPRI rounds 13–19 Journal Article uri icon



  • AbstractModeling the conformational changes that occur on binding of macromolecules is an unsolved challenge. In previous rounds of the Critical Assessment of PRediction of Interactions (CAPRI), it was demonstrated that the Rosetta approach to macromolecular modeling could capture side chain conformational changes on binding with high accuracy. In rounds 13–19 we tested the ability of various backbone remodeling strategies to capture the main‐chain conformational changes observed during binding events. These approaches span a wide range of backbone motions, from limited refinement of loops to relieve clashes in homologous docking, through extensive remodeling of loop segments, to large‐scale remodeling of RNA. Although the results are encouraging, major improvements in sampling and energy evaluation are clearly required for consistent high accuracy modeling. Analysis of our failures in the CAPRI challenges suggest that conformational sampling at the termini of exposed beta strands is a particularly pressing area for improvement. Proteins 2010. © Wiley‐Liss, Inc.

publication date

  • November 15, 2010

has restriction

  • hybrid

Date in CU Experts

  • September 24, 2019 5:08 AM

Full Author List

  • Fleishman SJ; Corn JE; Strauch EM; Whitehead TA; Andre I; Thompson J; Havranek JJ; Das R; Bradley P; Baker D

author count

  • 10

Other Profiles

International Standard Serial Number (ISSN)

  • 0887-3585

Electronic International Standard Serial Number (EISSN)

  • 1097-0134

Additional Document Info

start page

  • 3212

end page

  • 3218


  • 78


  • 15