Published in J Phys Chem B on January 13, 2005
Diffusion, crowding & protein stability in a dynamic molecular model of the bacterial cytoplasm. PLoS Comput Biol (2010) 3.65
Protein folding, stability, and solvation structure in osmolyte solutions. Biophys J (2005) 1.72
Effects of lengthscales and attractions on the collapse of hydrophobic polymers in water. Proc Natl Acad Sci U S A (2007) 1.49
Ion pairing in molecular simulations of aqueous alkali halide solutions. J Phys Chem B (2009) 1.35
Osmolyte trimethylamine-N-oxide does not affect the strength of hydrophobic interactions: origin of osmolyte compatibility. Biophys J (2005) 1.13
Amino acid side chain interactions in the presence of salts. J Phys Chem B (2005) 1.05
Preferential hydration of DNA: the magnitude and distance dependence of alcohol and polyol interactions. Biophys J (2006) 1.04
Structural adaptation of extreme halophilic proteins through decrease of conserved hydrophobic contact surface. BMC Struct Biol (2011) 0.95
Hydrophobic interactions in model enclosures from small to large length scales: non-additivity in explicit and implicit solvent models. Faraday Discuss (2010) 0.93
Potential for modulation of the hydrophobic effect inside chaperonins. Biophys J (2008) 0.92
Solvation free energies of alanine peptides: the effect of flexibility. J Phys Chem B (2013) 0.91
Effects of temperature and salt concentration on the structural stability of human lymphotactin: insights from molecular simulations. J Am Chem Soc (2006) 0.88
Role of electrostatics in modulating hydrophobic interactions and barriers to hydrophobic assembly. J Phys Chem B (2010) 0.87
Salt effects on surface-tethered peptides in solution. J Phys Chem B (2009) 0.86
Role of spatial ionic distribution on the energetics of hydrophobic assembly and properties of the water/hydrophobe interface. Phys Chem Chem Phys (2012) 0.81
Effects of Hofmeister ions on the α-helical structure of proteins. Biophys J (2012) 0.80
Free energetics of carbon nanotube association in pure and aqueous ionic solutions. J Phys Chem B (2012) 0.79
Charge, hydrophobicity, and confined water: putting past simulations into a simple theoretical framework. Biochem Cell Biol (2010) 0.77
Optimized solubilization of TRIzol-precipitated protein permits Western blotting analysis to maximize data available from brain tissue. J Neurosci Methods (2017) 0.75
Free energetics of carbon nanotube association in aqueous inorganic NaI salt solutions: Temperature effects using all-atom molecular dynamics simulations. J Comput Chem (2015) 0.75
Effect of salt valency and concentration on structure and thermodynamic behavior of anionic polyelectrolyte Na(+)-polyethacrylate aqueous solution. J Mol Model (2016) 0.75
Water in nonpolar confinement: from nanotubes to proteins and beyond. Annu Rev Phys Chem (2008) 2.57
Osmotic water transport through carbon nanotube membranes. Proc Natl Acad Sci U S A (2003) 2.41
Hydrophobic hydration from small to large lengthscales: Understanding and manipulating the crossover. Proc Natl Acad Sci U S A (2005) 1.88
How wetting and adhesion affect thermal conductance of a range of hydrophobic to hydrophilic aqueous interfaces. Phys Rev Lett (2009) 1.57
Characterizing hydrophobicity of interfaces by using cavity formation, solute binding, and water correlations. Proc Natl Acad Sci U S A (2009) 1.54
Effects of lengthscales and attractions on the collapse of hydrophobic polymers in water. Proc Natl Acad Sci U S A (2007) 1.49
Size dependent ion hydration, its asymmetry, and convergence to macroscopic behavior. J Chem Phys (2004) 1.42
Sitting at the edge: how biomolecules use hydrophobicity to tune their interactions and function. J Phys Chem B (2012) 1.40
Mapping hydrophobicity at the nanoscale: applications to heterogeneous surfaces and proteins. Faraday Discuss (2010) 1.24
Extended surfaces modulate hydrophobic interactions of neighboring solutes. Proc Natl Acad Sci U S A (2011) 1.14
Osmolyte trimethylamine-N-oxide does not affect the strength of hydrophobic interactions: origin of osmolyte compatibility. Biophys J (2005) 1.13
Role of backbone hydration and salt-bridge formation in stability of alpha-helix in solution. Biophys J (2003) 1.10
Quantifying water density fluctuations and compressibility of hydration shells of hydrophobic solutes and proteins. Phys Rev Lett (2009) 1.08
Hydrophobicity of proteins and interfaces: insights from density fluctuations. Annu Rev Chem Biomol Eng (2011) 1.05
Helix propensities of short peptides: molecular dynamics versus bioinformatics. Proteins (2003) 1.04
Hydration of enzyme in nonaqueous media is consistent with solvent dependence of its activity. Biophys J (2004) 1.02
How surface wettability affects the binding, folding, and dynamics of hydrophobic polymers at interfaces. Langmuir (2009) 0.96
Unfolding of hydrophobic polymers in guanidinium chloride solutions. J Phys Chem B (2010) 0.94
Mechanism for intein C-terminal cleavage: a proposal from quantum mechanical calculations. Biophys J (2006) 0.90
Enthalpy-entropy contributions to salt and osmolyte effects on molecular-scale hydrophobic hydration and interactions. J Phys Chem B (2008) 0.90
How interfaces affect hydrophobically driven polymer folding. J Phys Chem B (2009) 0.89
Quantifying density fluctuations in volumes of all shapes and sizes using indirect umbrella sampling. J Stat Phys (2011) 0.88
Efficient method to characterize the context-dependent hydrophobicity of proteins. J Phys Chem B (2014) 0.88
Studying pressure denaturation of a protein by molecular dynamics simulations. Proteins (2010) 0.87
Configuration of PKCalpha-C2 domain bound to mixed SOPC/SOPS lipid monolayers. Biophys J (2009) 0.87
Mesoscale model of polymer melt structure: self-consistent mapping of molecular correlations to coarse-grained potentials. J Chem Phys (2005) 0.86
Direct determination of phase behavior of square-well fluids. J Chem Phys (2005) 0.82
Quantifying the protein core flexibility through analysis of cavity formation. J Chem Phys (2006) 0.82
Modeling the selective partitioning of cations into negatively charged nanopores in water. J Chem Phys (2007) 0.81
Molecular simulations of multimodal ligand-protein binding: elucidation of binding sites and correlation with experiments. J Phys Chem B (2011) 0.81
Thermal resistance of nanoscopic liquid-liquid interfaces: dependence on chemistry and molecular architecture. Nano Lett (2005) 0.79
Trimethylamine N-oxide (TMAO) and tert-butyl alcohol (TBA) at hydrophobic interfaces: insights from molecular dynamics simulations. Langmuir (2013) 0.78
Role of arginine in mediating protein-carbon nanotube interactions. Langmuir (2015) 0.78
Attractions, water structure, and thermodynamics of hydrophobic polymer collapse. J Phys Chem B (2008) 0.78
Hydration dynamics at femtosecond time scales and angstrom length scales from inelastic x-ray scattering. Phys Rev Lett (2009) 0.77
On the thermodynamics and kinetics of hydrophobic interactions at interfaces. J Phys Chem B (2013) 0.77
Designing heteropolymers to fold into unique structures via water-mediated interactions. J Phys Chem B (2010) 0.77
Self-assembly of TMAO at hydrophobic interfaces and its effect on protein adsorption: insights from experiments and simulations. Langmuir (2010) 0.77
How hydrophobic hydration responds to solute size and attractions: Theory and simulations. J Chem Phys (2009) 0.76
Evaluation of selectivity changes in HIC systems using a preferential interaction based analysis. Biotechnol Bioeng (2004) 0.76
Ion pairing in molecular simulations of aqueous alkali halide solutions. J Phys Chem B (2009) 0.75
Application of a spherical harmonics expansion approach for calculating ligand density distributions around proteins. J Phys Chem B (2014) 0.75
Mechanistic studies of displacer-protein binding in chemically selective displacement systems using NMR and MD simulations. Biotechnol Bioeng (2009) 0.75
Binding, structure, and dynamics of hydrophobic polymers near patterned self-assembled monolayer surfaces. Langmuir (2014) 0.75
Strong frequency dependence of dynamical coupling between protein and water. J Chem Phys (2008) 0.75
Structure and dynamics of single hydrophobic/ionic heteropolymers at the vapor-liquid interface of water. Langmuir (2014) 0.75
Tail ordering due to headgroup hydrogen bonding interactions in surfactant monolayers at the water-oil interface. J Phys Chem B (2006) 0.75