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Bayesian refinement of protein structures and ensembles against SAXS data using molecular dynamics.

Shevchuk R, Hub JS.

PLoS Comput Biol. 2017 Oct 18;13(10):e1005800. doi: 10.1371/journal.pcbi.1005800. eCollection 2017 Oct.


Progress in small-angle scattering from biological solutions at high-brilliance synchrotrons.

Tuukkanen AT, Spilotros A, Svergun DI.

IUCrJ. 2017 Aug 8;4(Pt 5):518-528. doi: 10.1107/S2052252517008740. eCollection 2017 Sep 1. Review.


Reduction of small-angle scattering profiles to finite sets of structural invariants.

Houdayer J, Poitevin F.

Acta Crystallogr A Found Adv. 2017 Jul 1;73(Pt 4):317-332. doi: 10.1107/S205327331700451X. Epub 2017 Jun 9.


Combining NMR and small angle X-ray scattering for the study of biomolecular structure and dynamics.

Mertens HDT, Svergun DI.

Arch Biochem Biophys. 2017 Aug 15;628:33-41. doi: 10.1016/ Epub 2017 May 10. Review.


Modeling Hsp70/Hsp40 interaction by multi-scale molecular simulations and coevolutionary sequence analysis.

Malinverni D, Jost Lopez A, De Los Rios P, Hummer G, Barducci A.

Elife. 2017 May 12;6. pii: e23471. doi: 10.7554/eLife.23471.


SAS profile correlations reveal SAS hierarchical nature and information content.

Spill YG, Nilges M.

PLoS One. 2017 May 11;12(5):e0177309. doi: 10.1371/journal.pone.0177309. eCollection 2017.


SAXS-Oriented Ensemble Refinement of Flexible Biomolecules.

Cheng P, Peng J, Zhang Z.

Biophys J. 2017 Apr 11;112(7):1295-1301. doi: 10.1016/j.bpj.2017.02.024.


Atomistic structural ensemble refinement reveals non-native structure stabilizes a sub-millisecond folding intermediate of CheY.

Shi J, Nobrega RP, Schwantes C, Kathuria SV, Bilsel O, Matthews CR, Lane TJ, Pande VS.

Sci Rep. 2017 Mar 8;7:44116. doi: 10.1038/srep44116.


Using chemical shifts to generate structural ensembles for intrinsically disordered proteins with converged distributions of secondary structure.

Ytreberg FM, Borcherds W, Wu H, Daughdrill GW.

Intrinsically Disord Proteins. 2015 Feb 3;3(1):e984565. doi: 10.4161/21690707.2014.984565. eCollection 2015.


Disentangling polydispersity in the PCNA-p15PAF complex, a disordered, transient and multivalent macromolecular assembly.

Cordeiro TN, Chen PC, De Biasio A, Sibille N, Blanco FJ, Hub JS, Crehuet R, Bernadó P.

Nucleic Acids Res. 2017 Feb 17;45(3):1501-1515. doi: 10.1093/nar/gkw1183.


Atomistic modelling of scattering data in the Collaborative Computational Project for Small Angle Scattering (CCP-SAS).

Perkins SJ, Wright DW, Zhang H, Brookes EH, Chen J, Irving TC, Krueger S, Barlow DJ, Edler KJ, Scott DJ, Terrill NJ, King SM, Butler PD, Curtis JE.

J Appl Crystallogr. 2016 Oct 14;49(Pt 6):1861-1875. eCollection 2016 Dec 1.


Reverse-topology membrane scission by the ESCRT proteins.

Schöneberg J, Lee IH, Iwasa JH, Hurley JH.

Nat Rev Mol Cell Biol. 2017 Jan;18(1):5-17. doi: 10.1038/nrm.2016.121. Epub 2016 Oct 5. Review.


Investigating the Role of Large-Scale Domain Dynamics in Protein-Protein Interactions.

Delaforge E, Milles S, Huang JR, Bouvier D, Jensen MR, Sattler M, Hart DJ, Blackledge M.

Front Mol Biosci. 2016 Sep 13;3:54. doi: 10.3389/fmolb.2016.00054. eCollection 2016. Review.


Sampling Enrichment toward Target Structures Using Hybrid Molecular Dynamics-Monte Carlo Simulations.

Yang K, Różycki B, Cui F, Shi C, Chen W, Li Y.

PLoS One. 2016 May 26;11(5):e0156043. doi: 10.1371/journal.pone.0156043. eCollection 2016.


Comparison of native and non-native ubiquitin oligomers reveals analogous structures and reactivities.

Pham GH, Rana AS, Korkmaz EN, Trang VH, Cui Q, Strieter ER.

Protein Sci. 2016 Feb;25(2):456-71. doi: 10.1002/pro.2834. Epub 2016 Jan 12.


Prion Protein-Antibody Complexes Characterized by Chromatography-Coupled Small-Angle X-Ray Scattering.

Carter L, Kim SJ, Schneidman-Duhovny D, Stöhr J, Poncet-Montange G, Weiss TM, Tsuruta H, Prusiner SB, Sali A.

Biophys J. 2015 Aug 18;109(4):793-805. doi: 10.1016/j.bpj.2015.06.065.


MERA: a webserver for evaluating backbone torsion angle distributions in dynamic and disordered proteins from NMR data.

Mantsyzov AB, Shen Y, Lee JH, Hummer G, Bax A.

J Biomol NMR. 2015 Sep;63(1):85-95. doi: 10.1007/s10858-015-9971-2. Epub 2015 Jul 29.


Interpretation of solution x-ray scattering by explicit-solvent molecular dynamics.

Chen PC, Hub JS.

Biophys J. 2015 May 19;108(10):2573-2584. doi: 10.1016/j.bpj.2015.03.062.


Determining structural ensembles of flexible multi-domain proteins using small-angle X-ray scattering and molecular dynamics simulations.

Zhang Y, Wen B, Peng J, Zuo X, Gong Q, Zhang Z.

Protein Cell. 2015 Aug;6(8):619-23. doi: 10.1007/s13238-015-0162-4. No abstract available.


Advanced ensemble modelling of flexible macromolecules using X-ray solution scattering.

Tria G, Mertens HD, Kachala M, Svergun DI.

IUCrJ. 2015 Feb 26;2(Pt 2):207-17. doi: 10.1107/S205225251500202X. eCollection 2015 Mar 1.

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