Publications
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] Type Year Filters: First Letter Of Last Name is S [Clear All Filters]
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2023. Editorial: In Celebration of Women in Science: Biological Modeling and Simulation. Front Mol Biosci. 10:1175325.
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2019. Effect of Ions on Water Dynamics in Dilute and Concentrated Aqueous Salt Solutions. J Phys Chem B. 123:3312-3324.
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2013. The effect of protein composition on hydration dynamics. Phys. Chem. Chem. Phys.. 15:3570–3576.
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2001. Elastic constants from direct correlation functions in nematic liquid crystals: A computer simulation study. J. Chem. Phys.. 115:7227–7234.
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2015. The elastic free energy of a tandem modular protein under force.. Biochem. Biophys. Res. Comm.. :1–5.
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2013. Elasticity, structure, and relaxation of extended proteins under force.. Proc. Natl. Acad. Sci. U.s.a. 110:3847–52.
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2009. Energy Flow and Long-Range Correlations in Guanine-Binding Riboswitch: A Nonequilibrium Molecular Dynamics Study. J. Phys. Chem. B. 113:9340–9347.
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2005. Energy landscape of a small peptide revealed by dihedral angle principal component analysis. Proteins: Struct., Funct., Bioinf.. 58:45–52.
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2007. Energy transport in peptide helices. Proc. Natl. Acad. Sci. U.s.a.. 104:12749–12754.
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2008. Energy transport in peptide helices: A comparison between high- and low-energy excitations. J. Phys. Chem. B. 112:9091–9099.
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2022. Enhanced Sampling Methods for Molecular Dynamics Simulations [Article v1.0]. Living Journal of Computational Molecular Science. 4:1583.
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2011. Enzyme Closure and Nucleotide Binding Structurally Lock Guanylate Kinase. Biophys. J.. 101:1440–1449.
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2016. Evaluation of the coarse-grained OPEP force field for protein-protein docking. Bmc Biophysics. 9
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2011. Exploring the energy landscape of small peptides and proteins by molecular dynamics simulations.
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2011. Exploring the energy landscape of small peptides and proteins by molecular dynamics simulations.
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2003. Exploring the folding pathways of proteins through energy landscape sampling: Application to Alzheimer's beta-amyloid peptide. Internet Electron. J. Mol. Des.. 2:564–577.
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2003. Exploring The Repertoire of RNA Secondary Motifs Using Graph Theory with Implications for RNA Design. Nuc. Acids Res.. 31:2926–2943.
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2003. Extending the structure of an ABC transporter to atomic resolution: Modeling and simulation studies of MsbA. Biochemistry. 42:3666–3673.
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2015. Fold and flexibility: what can proteins' mechanical properties tell us about their folding nucleus? J. R. Soc. Interface. 12
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2013. Formation of raft-like assemblies within clusters of influenza hemagglutinin observed by MD simulations. Plos Comput. Biol.. 9:e1003034.
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2011. Frontier residues lining globin internal cavities present specific mechanical properties. J. Am. Chem. Soc.. 133:8753–8761.
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2011. Frontier residues lining globin internal cavities present specific mechanical properties. J. Am. Chem. Soc.. 133:8753–8761.
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1996. Finding and visualizing nucleic acid base stacking. J Mol Graph. 14:6–11.
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2003. Fluid phase transitions at chemically heterogeneous, nonplanar solid substrates: Surface versus confinement effects. J. Chem. Phys.. 118:1453–1465.
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2003. Fluid phase transitions at chemically heterogeneous, nonplanar solid substrates: Surface versus confinement effects. J. Chem. Phys.. 118:1453–1465.