4.7 Article

An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12

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SCIENTIFIC REPORTS
卷 8, 期 -, 页码 -

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NATURE PUBLISHING GROUP
DOI: 10.1038/s41598-018-26812-8

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资金

  1. Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]
  2. U.S. Department of Energy, Office of Science, Office of Workforce Development for Teachers and Scientists (WDTS) under the Science Undergraduate Laboratory Internship (SULI) program
  3. U.S. Department of Energy, Office of Science, Office of Workforce Development for Teachers and Scientists (WDTS) under the Visiting Faculty Program (VFP)
  4. United States-Israel Binational Science Foundation (BSF) [2009432]
  5. Israel Science Foundation (ISF) [1122/14]
  6. National Institute of General Medical Sciences [R01GM093123, GM083107, GM116960]
  7. Purdue University start-up funds
  8. Ralph W. and Grace M. Showalter Trust Award
  9. Jim and Diann Robbers Cancer Research Grant for New Investigators Award
  10. Brazilian agency: FAPESP
  11. Brazilian agency: CAPES
  12. Brazilian agency: CNPq
  13. NIH [GM-14312]
  14. NSF [MCB-10-19767]
  15. National Institutes of Medicine [GM11574901]
  16. Swedish Research Council [2012-5270, 2016-05369]
  17. Swedish e-Science Research Center
  18. Polish National Science Center [UMO-2013/10/M/ST4/00640]
  19. IISc Mathematical Initiative Assistantship
  20. National Academy of Sciences, India
  21. National Institutes of Health [R01-GM100701, R01GM052032]
  22. National Science Foundation
  23. National Science Foundation Graduate Research Fellowship [DGE-1148900]
  24. Princeton Institute for Computational Science and Engineering (PICSciE)
  25. Princeton University Office of Information Technology
  26. UK Engineering and Physical Sciences Research Council [EP/M020576/1, EP/N031962/1]
  27. National Research Foundation of Korea [2016R1A2A1A05005485]
  28. NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES [T32GM007270, R01GM052032, R01GM093123, R01GM083107, R01GM100701, R01GM116960, R35GM122543, R01GM014312] Funding Source: NIH RePORTER
  29. EPSRC [EP/M020576/1, EP/N031962/1] Funding Source: UKRI

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Every two years groups worldwide participate in the Critical Assessment of Protein Structure Prediction (CASP) experiment to blindly test the strengths and weaknesses of their computational methods. CASP has significantly advanced the field but many hurdles still remain, which may require new ideas and collaborations. In 2012 a web-based effort called WeFold, was initiated to promote collaboration within the CASP community and attract researchers from other fields to contribute new ideas to CASP. Members of the WeFold coopetition (cooperation and competition) participated in CASP as individual teams, but also shared components of their methods to create hybrid pipelines and actively contributed to this effort. We assert that the scale and diversity of integrative prediction pipelines could not have been achieved by any individual lab or even by any collaboration among a few partners. The models contributed by the participating groups and generated by the pipelines are publicly available at the WeFold website providing a wealth of data that remains to be tapped. Here, we analyze the results of the 2014 and 2016 pipelines showing improvements according to the CASP assessment as well as areas that require further adjustments and research.

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