Statistical Thermodynamics, Macromolecular crowding, Biomolecular assembly at interfaces, Material design
Statistical mechanics, Molecular simulation methods
G. H. Zerze#, R. G. Mullen #, Z. A. Levine #, J.-E. Shea, and J. Mittal, “To what extent does surface hydrophobicity dictate peptide folding and stability near surfaces?” Langmuir (in press). #Equal contribution
Y. Ding and J. Mittal, “Equilibrium and nonequilibrium dynamics of soft sphere fluids” Soft Matter 11, 5274 (2015).
G. H. Zerze, C. Miller, D. Granata, and J. Mittal, “Free energy surface of an intrinsically disordered protein: Comparison between temperature replica exchange molecular dynamics and bias-exchange metadynamics” Journal of Chemical Theory and Computation 11, 2776 (2015).
C. Miller, A. Brown, and J. Mittal, “Disorder in cholesterol binding functionality of CRAC peptides: A molecular dynamics study” Journal of Physics Chemistry B 118, 13169 (2014).
I. Moskowitz, M. A. Snyder, and J. Mittal, “Water transport through functionalized nanotubes with tunable hydrophobicity” Journal of Chemical Physics special issue on Interfacial and Confined Water 141, 18C532 (2014).
R. B. Best, W. Zheng, and J. Mittal, “Balanced protein-water interactions improve properties of disordered proteins and non-specific protein association” Journal of Chemical Theory and Computation 10, 5113 (2014).
Y. Ding and J. Mittal, “Insights into DNA-mediated interparticle interactions from a coarse-grained model” Journal of Chemical Physics 141, 184901 (2014).
C. Miller#, G. H. Zerze#, and J. Mittal, “Molecular simulations indicate marked differences in structure of amylin mutants, correlated with known aggregation propensity” Journal of Physical Chemistry B 117, 16066 (2013). #Equal contribution
Y. C. Kim and J. Mittal, “Crowding induced entropy-enthalpy compensation in protein association equilibria” Physical Review Letters 110, 208102 (2013).
A. Shankar, A. Jagota, and J. Mittal, “DNA base dimers stack in solution and are stabilized by hydrogen bonding interactions including non-Watson-Crick pairing near graphite surface” Journal of Physical Chemistry B 116, 12088 (2012).
D. Roxbury, A. Jagota, and J. Mittal, “Sequence specific self-stitching motif of short single-stranded DNA on a single-walled carbon nanotube” Journal of the American Chemical Society 133, 13545 (2011).
R. B. Best and J. Mittal, “Microscopic events in β-hairpin folding from alternative unfolded ensembles” Proceedings of the National Academy of Sciences 108, 11087 (2011).