Published in J Chem Phys on January 07, 2010
Probing the thermodynamics of competitive ion binding using minimum energy structures. J Phys Chem B (2011) 2.01
Polarizable molecular dynamics simulation of Zn(II) in water using the AMOEBA force field. J Chem Theory Comput (2010) 1.07
Modeling Structural Coordination and Ligand Binding in Zinc Proteins with a Polarizable Potential. J Chem Theory Comput (2012) 1.01
Temperature dependence and energetics of single ions at the aqueous liquid-vapor interface. J Phys Chem B (2013) 0.88
Solvation properties of N-acetyl-β-glucosamine: molecular dynamics study incorporating electrostatic polarization. J Comput Chem (2011) 0.82
Solvation Structure and Energetics of Single Ions at the Aqueous Liquid-Vapor Interface. Chem Phys Lett (2012) 0.82
Hydration Free Energy from Orthogonal Space Random Walk and Polarizable Force Field. J Chem Theory Comput (2014) 0.82
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
Solvation structure of the halides from x-ray absorption spectroscopy. J Chem Phys (2016) 0.75
Real single ion solvation free energies with quantum mechanical simulation. Chem Sci (2017) 0.75
Ion transit pathways and gating in ClC chloride channels. Proteins (2004) 1.70
Proton pathways and H+/Cl- stoichiometry in bacterial chloride transporters. Proteins (2007) 1.13
Polarization and charge transfer in the hydration of chloride ions. J Chem Phys (2010) 0.92
Modeling molecular and ionic absolute solvation free energies with quasichemical theory bounds. J Chem Phys (2008) 0.89
Deblurred observation of the molecular structure of an oil-water interface. J Am Chem Soc (2005) 0.86
TransPath: a computational method for locating ion transit pathways through membrane proteins. Proteins (2008) 0.80
Length scales and interfacial potentials in ion hydration. J Chem Phys (2013) 0.77
Free energy partitioning analysis of the driving forces that determine ion density profiles near the water liquid-vapor interface. J Chem Phys (2012) 0.77
An Information Theory Approach to Nonlinear, Nonequilibrium Thermodynamics. J Stat Phys (2011) 0.75
Molecular dynamics simulations of the structure and thermodynamics of carrier-assisted uranyl ion extraction. J Phys Chem B (2009) 0.75
Interpretation of alkyl diselenide and selenosulfenate mass spectra. J Am Soc Mass Spectrom (2004) 0.75
A Novel Liposome-Based Surface Enhanced Raman Spectroscopy (SERS) Substrate. J Phys Chem Lett (2017) 0.75
Flexible polyelectrolyte simulations at the Poisson-Boltzmann level: a comparison of the kink-jump and multigrid configurational-bias Monte Carlo methods. J Chem Phys (2004) 0.75