Research Topics
| Jeetain MittalSummaryAffiliation: Lehigh University Country: USA Publications
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Detail Information
Publications
Dependence of protein folding stability and dynamics on the density and composition of macromolecular crowdersJeetain Mittal
Department of Chemical Engineering, Lehigh University, Bethlehem, Pennsylvania, USA
Biophys J 98:315-20. 2010..A simple extension of the scaled-particle theory model, assuming additivity, can also describe the behavior of mixtures of crowding particles...- Tackling force-field bias in protein folding simulations: folding of Villin HP35 and Pin WW domains in explicit waterJeetain Mittal
Department of Chemical Engineering, Lehigh University, Bethlehem, Pennsylvania, USA
Biophys J 99:L26-8. 2010..0 A RMSD of the experimental structures. This demonstrates that a simple backbone correction results in a more transferable force field, an important requirement if simulations are to be used to interpret folding mechanism... 
Structural ensemble of an intrinsically disordered polypeptideJeetain Mittal
Department of Chemical Engineering, Lehigh University, Bethlehem, Pennsylvania 18015, United States
J Phys Chem B 117:118-24. 2013..We show that p53 populates solution structures that strongly resemble the ligand (MDM2)-bound structure, but at the same time, the conformational free-energy landscape is relatively flat in the absence of the ligand...- Pair diffusion, hydrodynamic interactions, and available volume in dense fluidsJeetain Mittal
Department of Chemical Engineering, Lehigh University, Bethlehem, Pennsylvania 18015, USA
J Chem Phys 137:034110. 2012..The procedure used here to determine the pair diffusion coefficients can also be used for single-particle diffusion in confinement with spherical symmetry... - Interfacial thermodynamics of confined water near molecularly rough surfacesJeetain Mittal
Department of Chemical Engineering, Lehigh University, Bethlehem, Pennsylvania 18015, USA
Faraday Discuss 146:341-52; discussion 367-93, 395-401. 2010..These microscopic changes in the density, hydrogen bonding, and water orientation contribute to the large increase in the interfacial free energy, and the change from a hydrophilic to a hydrophobic character of the surface... 
Does confining the hard-sphere fluid between hard walls change its average properties?Jeetain Mittal
Department of Chemical Engineering, The University of Texas at Austin, Austin, Texas 78712, USA
J Chem Phys 126:244708. 2007..These paired thermodynamic/kinetic deviations from bulk behavior appear to reflect the geometric packing frustration that arises when the confined space cannot naturally accommodate an integer number of particle layers...- How short-range attractions impact the structural order, self-diffusivity, and viscosity of a fluidWilliam P Krekelberg
Department of Chemical Engineering, University of Texas at Austin, Austin, Texas 78712, USA
J Chem Phys 127:044502. 2007..We discuss how these couplings reflect dynamic heterogeneities. Finally, we note that the simulation data suggest how repulsive and attractive glasses may generally be characterized by two distinct levels of short-range structural order... - Quantitative link between single-particle dynamics and static structure of supercooled liquidsJeetain Mittal
Department of Chemical Engineering, The University of Texas at Austin, Austin, TX, USA
J Phys Chem B 110:18147-50. 2006..The generality of this observed structure-property relationship is supported by its ability to successfully describe the nontrivial behaviors of these very different types of model systems... - Anomalous structure and dynamics of the Gaussian-core fluidWilliam P Krekelberg
Department of Chemical Engineering, University of Texas at Austin, Austin, Texas 78712, USA
Phys Rev E Stat Nonlin Soft Matter Phys 79:031203. 2009..This finding, which deserves more comprehensive future study, appears to underscore the significance of higher-body correlations for the behavior of fluids with bounded interactions... - Modest protein-crowder attractive interactions can counteract enhancement of protein association by intermolecular excluded volume interactionsJonathan Rosen
Department of Chemical Engineering, Lehigh University, Bethlehem, Pennsylvania 18015, USA
J Phys Chem B 115:2683-9. 2011..We propose a simple theoretical model based on the scaled particle theory augmented by a mean-field attraction term that can explain our simulation results semiquantitatively... - Thermodynamics predicts how confinement modifies the dynamics of the equilibrium hard-sphere fluidJeetain Mittal
Department of Chemical Engineering, The University of Texas at Austin, USA
Phys Rev Lett 96:177804. 2006..Thus, thermodynamics can be used to predict how confinement impacts dynamics... - Smoothing of the GB1 hairpin folding landscape by interfacial confinementApratim Bhattacharya
Department of Chemical Engineering, Lehigh University, Bethlehem, Pennsylvania, USA
Biophys J 103:596-600. 2012..These results from a simple confinement model may provide clues about the role of chaperonin confinement in smoothing folding landscapes by avoiding trapped intermediates... - DNA base dimers are stabilized by hydrogen-bonding interactions including non-Watson-Crick pairing near graphite surfacesAkshaya Shankar
Department of Chemical Engineering, Lehigh University, Bethlehem, Pennsylvania 18015, USA
J Phys Chem B 116:12088-94. 2012..This clearly highlights the importance of non-Watson-Crick base pairing in the development of secondary structures of oligonucleotides near surfaces... - Structural characteristics of oligomeric DNA strands adsorbed onto single-walled carbon nanotubesDaniel Roxbury
Department of Chemical Engineering, Lehigh University, Bethlehem, Pennsylvania 18015, United States
J Phys Chem B 117:132-40. 2013..Finally, we provide a summary of DNA structures observed for various DNA-SWCNT hybrids as a preliminary set of motifs that may be involved in the functional role of these hybrids...