Published in J Chem Phys on July 21, 2012
Hydrophobicity of protein surfaces: Separating geometry from chemistry. Proc Natl Acad Sci U S A (2008) 1.85
Effect of surface polarity on water contact angle and interfacial hydration structure. J Phys Chem B (2007) 1.31
Effect of pressure on the phase behavior and structure of water confined between nanoscale hydrophobic and hydrophilic plates. Phys Rev E Stat Nonlin Soft Matter Phys (2006) 1.30
The liquid-liquid transition in supercooled ST2 water: a comparison between umbrella sampling and well-tempered metadynamics. Faraday Discuss (2013) 1.30
Enhanced surface hydrophobicity by coupling of surface polarity and topography. Proc Natl Acad Sci U S A (2009) 1.20
Evaporation rate of water in hydrophobic confinement. Proc Natl Acad Sci U S A (2012) 1.13
A computational study of hydration, solution structure, and dynamics in dilute carbohydrate solutions. J Chem Phys (2005) 1.09
Systematic determination of order parameters for chain dynamics using diffusion maps. Proc Natl Acad Sci U S A (2010) 1.07
Liquid-liquid transition in ST2 water. J Chem Phys (2012) 1.03
Water-like solvation thermodynamics in a spherically symmetric solvent model with two characteristic lengths. Proc Natl Acad Sci U S A (2007) 0.99
Generalization of the Wang-Landau method for off-lattice simulations. Phys Rev E Stat Nonlin Soft Matter Phys (2002) 0.98
Integrating diffusion maps with umbrella sampling: application to alanine dipeptide. J Chem Phys (2011) 0.95
Phase transitions induced by nanoconfinement in liquid water. Phys Rev Lett (2009) 0.95
Properties of model atomic free-standing thin films. J Chem Phys (2011) 0.95
Structure of the first- and second-neighbor shells of simulated water: quantitative relation to translational and orientational order. Phys Rev E Stat Nonlin Soft Matter Phys (2007) 0.92
Solubility and molecular conformations of n-alkane chains in water. J Phys Chem B (2009) 0.91
Effect of temperature on the structure and phase behavior of water confined by hydrophobic, hydrophilic, and heterogeneous surfaces. J Phys Chem B (2009) 0.90
Fluid-phase behavior of binary mixtures in which one component can have two critical points. J Chem Phys (2006) 0.88
A computational investigation of thermodynamics, structure, dynamics and solvation behavior in modified water models. J Chem Phys (2008) 0.88
Family of tunable spherically symmetric potentials that span the range from hard spheres to waterlike behavior. Phys Rev E Stat Nonlin Soft Matter Phys (2006) 0.87
Thermodynamic mechanism for solution phase chiral amplification via a lattice model. Proc Natl Acad Sci U S A (2009) 0.87
Free energy barriers to evaporation of water in hydrophobic confinement. J Phys Chem B (2012) 0.86
Molecular structural order and anomalies in liquid silica. Phys Rev E Stat Nonlin Soft Matter Phys (2002) 0.85
Suppression of sub-surface freezing in free-standing thin films of a coarse-grained model of water. Phys Chem Chem Phys (2014) 0.83
Lindemann measures for the solid-liquid phase transition. J Chem Phys (2007) 0.83
Dissecting the energetics of hydrophobic hydration of polypeptides. J Phys Chem B (2011) 0.83
Evolution from surface-influenced to bulk-like dynamics in nanoscopically confined water. J Phys Chem B (2009) 0.83
Structural order in glassy water. Phys Rev E Stat Nonlin Soft Matter Phys (2005) 0.83
A computational investigation of the phase behavior and capillary sublimation of water confined between nanoscale hydrophobic plates. J Chem Phys (2012) 0.82
Effect of surface polarity on the structure and dynamics of water in nanoscale confinement. J Phys Chem B (2009) 0.82
Waterlike glass polyamorphism in a monoatomic isotropic Jagla model. J Chem Phys (2011) 0.82
An experimental and computational investigation of spontaneous lasso formation in microcin J25. Biophys J (2010) 0.81
Computational study of the stability of the miniprotein trp-cage, the GB1 β-hairpin, and the AK16 peptide, under negative pressure. J Phys Chem B (2014) 0.81
Temperature and length scale dependence of solvophobic solvation in a single-site water-like liquid. J Chem Phys (2013) 0.81
Structure, dynamics, and thermodynamics of a family of potentials with tunable softness. J Chem Phys (2011) 0.81
Role of hydrophobic hydration in protein stability: a 3D water-explicit protein model exhibiting cold and heat denaturation. J Phys Chem B (2012) 0.80
The effect of sequence on the conformational stability of a model heteropolymer in explicit water. J Chem Phys (2008) 0.80
Computational probes of molecular motion in the Lewis-Wahnstrom model for ortho-terphenyl. J Chem Phys (2006) 0.79
Computational characterization of the sequence landscape in simple protein alphabets. Proteins (2006) 0.79
Cooperative origin of low-density domains in liquid water. Phys Rev Lett (2002) 0.79
A computational study of the effect of matrix structural order on water sorption by Trp-cage miniproteins. J Phys Chem B (2015) 0.78
A water-explicit lattice model of heat-, cold-, and pressure-induced protein unfolding. Biophys J (2007) 0.78
Thermodynamics: when a phase is born. Nature (2006) 0.78
Modeling simple amphiphilic solutes in a Jagla solvent. J Chem Phys (2012) 0.78
Non-monotonic dependence of water reorientation dynamics on surface hydrophilicity: competing effects of the hydration structure and hydrogen-bond strength. Phys Chem Chem Phys (2011) 0.77
Stability of proteins in the presence of carbohydrates; experiments and modeling using scaled particle theory. Biophys Chem (2006) 0.77
Physics and chemistry of water and ice. Phys Chem Chem Phys (2011) 0.76
Structure-energy relations in hen egg white lysozyme observed during refolding from a quenched unfolded state. Chem Commun (Camb) (2009) 0.76
Scaled particle theory for hard sphere pairs. I. Mathematical structure. J Chem Phys (2006) 0.76
Relaxation processes in liquids: variations on a theme by Stokes and Einstein. J Chem Phys (2013) 0.76
Simultaneous determination of structural and thermodynamic effects of carbohydrate solutes on the thermal stability of ribonuclease A. J Am Chem Soc (2004) 0.76
Finite-size scaling study of the vapor-liquid critical properties of confined fluids: Crossover from three dimensions to two dimensions. J Chem Phys (2010) 0.76
Structural and mechanical properties of glassy water in nanoscale confinement. Faraday Discuss (2009) 0.76
A coarse-grained protein model in a water-like solvent. Sci Rep (2013) 0.75
Thermal stability of hydrophobic helical oligomers: a lattice simulation study in explicit water. J Phys Chem B (2012) 0.75
Phase transitions, Kauzmann curves, and inverse melting. Biophys Chem (2003) 0.75
Molecular dynamics simulations of water permeation across Nafion membrane interfaces. J Phys Chem B (2014) 0.75
Molecular dynamics study of carbon dioxide hydrate dissociation. J Phys Chem A (2011) 0.75
Creation and persistence of chiral asymmetry in a microscopically reversible molecular model. J Phys Chem B (2013) 0.75
Water's Thermal Pressure Drives the Temperature Dependence of Hydrophobic Hydration. J Phys Chem B (2017) 0.75
Thermodynamics and the glass transition in model energy landscapes. Phys Rev E Stat Nonlin Soft Matter Phys (2004) 0.75
Phase behavior of a lattice hydrophobic oligomer in explicit water. J Phys Chem B (2012) 0.75
Chiral symmetry breaking in a microscopic model with asymmetric autocatalysis and inhibition. J Chem Phys (2010) 0.75
Saddles in the energy landscape: extensivity and thermodynamic formalism. Phys Rev Lett (2004) 0.75
Molecular dynamics simulations of water sorption in a perfluorosulfonic acid membrane. J Phys Chem B (2013) 0.75
Scaled particle theory for hard sphere pairs. II. Numerical analysis. J Chem Phys (2006) 0.75
Generating inherent structures of liquids: comparison of local minimization algorithms. J Chem Phys (2005) 0.75
Method for efficient computation of the density of states in water-explicit biopolymer simulations on a lattice. J Phys Chem A (2007) 0.75
Alternative view of self-diffusion and shear viscosity. J Phys Chem B (2005) 0.75
A computational investigation of attrition-enhanced chiral symmetry breaking in conglomerate crystals. J Chem Phys (2013) 0.75
Viscosity of Nafion oligomers as a function of hydration and counterion type: a molecular dynamics study. J Phys Chem B (2014) 0.75
Monte Carlo simulations of high-pressure phase equilibria of CO2-H2O mixtures. J Phys Chem B (2011) 0.75
Novel computational probes of diffusive motion. J Phys Chem B (2005) 0.75
Effects of nonpolar solutes on the thermodynamic response functions of aqueous mixtures. J Chem Phys (2005) 0.75
Computational investigation of order, structure, and dynamics in modified water models. J Phys Chem B (2005) 0.75