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Catalytic mechanism of cellulose degradation by a cellobiohydrolase, CelS.
Saharay M, Guo H, Smith JC. Saharay M, et al. PLoS One. 2010 Oct 12;5(10):e12947. doi: 10.1371/journal.pone.0012947. PLoS One. 2010. PMID: 20967294 Free PMC article.
Instantaneous normal modes and the protein glass transition.
Schulz R, Krishnan M, Daidone I, Smith JC. Schulz R, et al. Biophys J. 2009 Jan;96(2):476-84. doi: 10.1016/j.bpj.2008.10.007. Biophys J. 2009. PMID: 19167298 Free PMC article.
Structure and conformational dynamics of the metalloregulator MerR upon binding of Hg(II).
Guo HB, Johs A, Parks JM, Olliff L, Miller SM, Summers AO, Liang L, Smith JC. Guo HB, et al. J Mol Biol. 2010 May 14;398(4):555-68. doi: 10.1016/j.jmb.2010.03.020. Epub 2010 Mar 19. J Mol Biol. 2010. PMID: 20303978
Probing the mechanism of cellulosome attachment to the Clostridium thermocellum cell surface: computer simulation of the Type II cohesin-dockerin complex and its variants.
Xu J, Smith JC. Xu J, et al. Protein Eng Des Sel. 2010 Oct;23(10):759-68. doi: 10.1093/protein/gzq049. Epub 2010 Aug 3. Protein Eng Des Sel. 2010. PMID: 20682763
Small angle neutron scattering reveals pH-dependent conformational changes in Trichoderma reesei cellobiohydrolase I: implications for enzymatic activity.
Pingali SV, O'Neill HM, McGaughey J, Urban VS, Rempe CS, Petridis L, Smith JC, Evans BR, Heller WT. Pingali SV, et al. J Biol Chem. 2011 Sep 16;286(37):32801-9. doi: 10.1074/jbc.M111.263004. Epub 2011 Jul 22. J Biol Chem. 2011. PMID: 21784865 Free PMC article.
Self-similar multiscale structure of lignin revealed by neutron scattering and molecular dynamics simulation.
Petridis L, Pingali SV, Urban V, Heller WT, O'Neill HM, Foston M, Ragauskas A, Smith JC. Petridis L, et al. Phys Rev E Stat Nonlin Soft Matter Phys. 2011 Jun;83(6 Pt 1):061911. doi: 10.1103/PhysRevE.83.061911. Epub 2011 Jun 15. Phys Rev E Stat Nonlin Soft Matter Phys. 2011. PMID: 21797407
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