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1,797 results
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Structured pathway across the transition state for peptide folding revealed by molecular dynamics simulations.
Thukral L, Daidone I, Smith JC. Thukral L, et al. Among authors: smith jc. PLoS Comput Biol. 2011 Sep;7(9):e1002137. doi: 10.1371/journal.pcbi.1002137. Epub 2011 Sep 8. PLoS Comput Biol. 2011. PMID: 21931542 Free PMC article.
Unwrapping of nucleosomal DNA ends: a multiscale molecular dynamics study.
Voltz K, Trylska J, Calimet N, Smith JC, Langowski J. Voltz K, et al. Among authors: smith jc. Biophys J. 2012 Feb 22;102(4):849-58. doi: 10.1016/j.bpj.2011.11.4028. Epub 2012 Feb 21. Biophys J. 2012. PMID: 22385856 Free PMC article.
Protein dynamics and stability: the distribution of atomic fluctuations in thermophilic and mesophilic dihydrofolate reductase derived using elastic incoherent neutron scattering.
Meinhold L, Clement D, Tehei M, Daniel R, Finney JL, Smith JC. Meinhold L, et al. Among authors: smith jc. Biophys J. 2008 Jun;94(12):4812-8. doi: 10.1529/biophysj.107.121418. Epub 2008 Feb 29. Biophys J. 2008. PMID: 18310248 Free PMC article.
Pressure-dependent transition in protein dynamics at about revealed by molecular dynamics simulation.
Meinhold L, Smith JC. Meinhold L, et al. Among authors: smith jc. Phys Rev E Stat Nonlin Soft Matter Phys. 2005 Dec;72(6 Pt 1):061908. doi: 10.1103/PhysRevE.72.061908. Epub 2005 Dec 13. Phys Rev E Stat Nonlin Soft Matter Phys. 2005. PMID: 16485975
Fluctuations and correlations in crystalline protein dynamics: a simulation analysis of staphylococcal nuclease.
Meinhold L, Smith JC. Meinhold L, et al. Among authors: smith jc. Biophys J. 2005 Apr;88(4):2554-63. doi: 10.1529/biophysj.104.056101. Epub 2005 Jan 28. Biophys J. 2005. PMID: 15681654 Free PMC article.
Neutron frequency windows and the protein dynamical transition.
Becker T, Hayward JA, Finney JL, Daniel RM, Smith JC. Becker T, et al. Among authors: smith jc. Biophys J. 2004 Sep;87(3):1436-44. doi: 10.1529/biophysj.104.042226. Biophys J. 2004. PMID: 15345526 Free PMC article.
Translational hydration water dynamics drives the protein glass transition.
Tournier AL, Xu J, Smith JC. Tournier AL, et al. Among authors: smith jc. Biophys J. 2003 Sep;85(3):1871-5. doi: 10.1016/S0006-3495(03)74614-1. Biophys J. 2003. PMID: 12944299 Free PMC article.
Molecular dynamics simulation reveals a surface salt bridge forming a kinetic trap in unfolding of truncated Staphylococcal nuclease.
Gruia AD, Fischer S, Smith JC. Gruia AD, et al. Among authors: smith jc. Proteins. 2003 Feb 15;50(3):507-15. doi: 10.1002/prot.10312. Proteins. 2003. PMID: 12557192
Peptide Partitioning and Folding into Lipid Bilayers.
Ulmschneider JP, Doux JP, Killian JA, Smith JC, Ulmschneider MB. Ulmschneider JP, et al. Among authors: smith jc. J Chem Theory Comput. 2009 Sep 8;5(9):2202-5. doi: 10.1021/ct900256k. J Chem Theory Comput. 2009. PMID: 26616605
Force-field development and molecular dynamics simulations of ferrocene-peptide conjugates as a scaffold for hydrogenase mimics.
de Hatten X, Cournia Z, Huc I, Smith JC, Metzler-Nolte N. de Hatten X, et al. Among authors: smith jc. Chemistry. 2007;13(29):8139-52. doi: 10.1002/chem.200700358. Chemistry. 2007. PMID: 17763506
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