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The FindCore algorithm is available at
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The FindCore algorithm is available at http://fps.nesg.org.
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77149135532
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We are thankful to the U.S. Department of Energy Innovative and Novel Computational Impact on Theory and Experiment Award for providing access to the Blue Gene/P supercomputer at the Argonne Leadership Computing Facility and to Rosetta@home participants for their generous contributions of computing power. We thank Y. Shen and A. Bax for fruitful discussions
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We are thankful to the U.S. Department of Energy Innovative and Novel Computational Impact on Theory and Experiment Award for providing access to the Blue Gene/P supercomputer at the Argonne Leadership Computing Facility and to Rosetta@home participants for their generous contributions of computing power. We thank Y. Shen and A. Bax for fruitful discussions;
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77149153963
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for their contribution during preliminary studies using sparse NOE constraints with CS-Rosetta
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Y. J. Huang and Y. Tang for their contribution during preliminary studies using sparse NOE constraints with CS-Rosetta;
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Huang, Y.J.1
Tang, Y.2
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for collection of RDC data, A. Lemak for providing the Crystallography and NMR System RDC refinement protocol, and the NESG consortium for access to other unpublished NMR data that has facilitated methods development. S.R., O.F.L., P.R., G.T.M., and D.B. designed research
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S. Bansal, H.-w. Lee, and Y. Liu for collection of RDC data, A. Lemak for providing the Crystallography and NMR System RDC refinement protocol, and the NESG consortium for access to other unpublished NMR data that has facilitated methods development. S.R., O.F.L., P.R., G.T.M., and D.B. designed research;
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Bansal, S.1
Lee, H.-W.2
Liu, Y.3
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S.R. designed and tested the CS-RDC-Rosetta protocol
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S.R. designed and tested the CS-RDC-Rosetta protocol;
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77149156870
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O.F.L. designed and tested the iterative CS-RDC-NOE-Rosetta protocol
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O.F.L. designed and tested the iterative CS-RDC-NOE-Rosetta protocol;
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77149176987
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M.T. developed the all-atom refinement protocol; S.R., O.F.L. and D.B. designed and performed research for energy based structure validation
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M.T. developed the all-atom refinement protocol; S.R., O.F.L. and D.B. designed and performed research for energy based structure validation;
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35
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77149157440
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X.W and J.P analyzed the ALG13 ensemble
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X.W and J.P analyzed the ALG13 ensemble;
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77149120376
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J.A, G.L, T.R, A.E, M.K, and T.S provided blind NMR data sets
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J.A, G.L, T.R, A.E, M.K, and T.S provided blind NMR data sets;
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37
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77149172488
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and S.R., O.F.L., P.R., G.T.M., and D.B. wrote the manuscript. This work was supported by the Human Frontiers of Science Program (O.F.L), NIH grant GM76222 (D.B.), the HHMI, the National Institutes of General Medical Science Protein Structure Initiative program grant U54 GM074958 (G.T.M.), and the Research Resource grant RR005351 (J.P.). M.T. holds a Sir Henry Wellcome Postdoctoral Fellowship. RDC and Paramagnetic Relaxation Enhancement data as deposited in the Protein Data Bank (PDB) with accession code 2jzc.
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and S.R., O.F.L., P.R., G.T.M., and D.B. wrote the manuscript. This work was supported by the Human Frontiers of Science Program (O.F.L), NIH grant GM76222 (D.B.), the HHMI, the National Institutes of General Medical Science Protein Structure Initiative program grant U54 GM074958 (G.T.M.), and the Research Resource grant RR005351 (J.P.). M.T. holds a Sir Henry Wellcome Postdoctoral Fellowship. RDC and Paramagnetic Relaxation Enhancement data as deposited in the Protein Data Bank (PDB) with accession code 2jzc.
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