All Faculty and Research Staff Publications

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2008
Pizzey CL, Pomerantz WC, Sung B-J, Yuwono VM, Gellman SH, Hartgerink JD, Yethiraj A, Abbott NL. Characterization of nanofibers formed by self-assembly of β-peptide oligomers using small angle x-ray scattering. Journal of Chemical Physics. 2008 ;129:095103/1-095103/8.
Kim JS, Yethiraj A. A diffusive anomaly of water in aqueous sodium chloride solutions at low temperatures. Journal of Physical Chemistry B. 2008 ;112:1729-1735.
Sung BJ, Yethiraj A. The effect of matrix structure on the diffusion of fluids in porous media. Journal of Chemical Physics. 2008 ;128.
Kim JS, Yethiraj A. The effect of salt on the melting of ice: A molecular dynamics simulation study. Journal of Chemical Physics. 2008 ;129.
Zhu X, Koenig P, Gellman SH, Yethiraj A, Cui Q. Establishing Effective Simulation Protocols for β- and α/β-Peptides. II. Molecular Mechanical (MM) Model for a Cyclic β-Residue. Journal of Physical Chemistry B. 2008 ;112:5439-5448.
Tang Y, Yoo J, Yethiraj A, Cui Q, Chen X. Gating mechanisms of mechanosensitive channels of large conductance, II: Systematic study of conformational transitions. Biophysical Journal. 2008 ;95:581-596.
Chen X, Cui Q, Tang Y, Yoo J, Yethiraj A. Gating mechanisms of mechanosensitive channels of large conductance, I: A continuum mechanics-based hierarchical framework. Biophysical Journal. 2008 ;95:563-580.
Sung BJ, Yethiraj A. Lateral diffusion of proteins in the plasma membrane: Spatial tessellation and percolation theory. Journal of Physical Chemistry B. 2008 ;112:143-149.
Tang YY, Yoo J, Yethiraj A, Cui Q, Chen X. Mechanosensitive channels: Insights from continuum-based simulations. Cell Biochemistry and Biophysics. 2008 ;52:1-18.
Padmanabhan V, Kumar SK, Yethiraj A. Phase behavior of semiflexible polymer chains. Journal of Chemical Physics. 2008 ;128.
Chang W-S, Link S, Yethiraj A, Barbara PF. Single molecule spectroscopy of conjugated polymer chains in an electric field-aligned liquid crystal. Journal of Physical Chemistry B. 2008 ;112:448-453.
2006
Reddy G, Chang RW, Yethiraj A. Adsorption and dynamics of a single polyelectrolyte chain near a planar charged surface: Molecular dynamics simulations with explicit solvent. Journal of Chemical Theory & Computation. 2006 ;2:630-636.
Link S, Chang WS, Yethiraj A, Barbara PF. Anisotropic diffusion of elongated and aligned polymer chains in a nematic solvent. Journal of Physical Chemistry B. 2006 ;110:19799.
Chang RW, Yethiraj A. Dilute solutions of strongly charged flexible polyelectrolytes in poor solvents: Molecular dynamics simulations with explicit solvent. Macromolecules. 2006 ;39:821-828.
Chang RW, Yethiraj A. Dynamics of chain molecules in disordered materials. Physical Review Letters. 2006 ;9610.
Jagannathan K, Sung BJ, Yethiraj A. Dynamics of probes in model glassy matrices. Physical Review Letters. 2006 ;97.
Reddy G, Yethiraj A. Implicit and explicit solvent models for the simulation of dilute polymer solutions. Macromolecules. 2006 ;39:8536.
Sung BJ, Yethiraj A. Lateral diffusion and percolation in membranes. Physical Review Letters. 2006 ;96.
Khare R, Keblinski P, Yethiraj A. Molecular dynamics simulations of heat and momentum transfer at a solid-fluid interface: Relationship between thermal and velocity slip. International Journal of Heat and Mass Transfer. 2006 ;49:3401.
Link S, Chang WS, Yethiraj A, Barbara PF. Orthogonal orientations for solvation of polymer molecules in smectic solvents - art. no. 017801. Physical Review Letters. 2006 ;9601:7801.
2005
Jagannathan K, Yethiraj A. Comment on "molecular dynamics simulations of a fluid near its critical point" - Jagannathan and Yethiraj reply - art. no. 069602. Physical Review Letters. 2005 ;9406:9602.
Jagannathan K, Yethiraj A. Dynamics of fluids near the consolute critical point: A molecular-dynamics study of the Widom-Rowlinson mixture - art. no. 244506. Journal of Chemical Physics. 2005 ;122:44506.
Jagannathan K, Reddy G, Yethiraj A. Integral equation theory for symmetric nonadditive hard sphere mixtures. Journal of Physical Chemistry BJournal of Physical Chemistry B. 2005 ;109:6764-6768.
Yethiraj A, Sung BJ, Lado F. Integral equation theory for two-dimensional polymer melts - art. no. 094910. Journal of Chemical Physics. 2005 ;122:94910.
Sung BJ, Yethiraj A. Integral equation theory of random copolymer melts. Macromolecules. 2005 ;38:2000-2008.
Sung BJ, Yethiraj A. Integral equation theory of random copolymer melts: Self-consistent treatment of intramolecular and intermolecular correlations - art. no. 234904. Journal of Chemical Physics. 2005 ;122:34904.
Sung BJ, Yethiraj A. Integral equation theory of randomly coupled multiblock copolymer melts: Effect of block size on the phase behavior - art. no. 214901. Journal of Chemical Physics. 2005 ;123.
Sung BJ, Yethiraj A. Molecular-dynamics simulations for nonclassical kinetics of diffusion-controlled bimolecular reactions - art. no. 114503. Journal of Chemical Physics. 2005 ;123:14503.
Sung BJ, Yethiraj A. Monte Carlo simulation and self-consistent integral equation theory for polymers in quenched random media - art. no. 074909. Journal of Chemical Physics. 2005 ;123:74909.
Chang R, Yethiraj A. Osmotic pressure of salt-free polyelectrolyte solutions: A Monte Carlo simulation study. Macromolecules. 2005 ;38:607-616.

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