Mobility and solvation of ions in channels

The missing term in effective pair potentials

1987 • 12,201 citations

Ionic channels of excitable membranes

1985 • 7,199 citations

Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling

1977 • 5,626 citations

Free Volume and Entropy in Condensed Systems III. Entropy in Binary Liquid Mixtures; Partial Molal Entropy in Dilute Solutions; Structure and Thermodynamics in Aqueous Electrolytes

1945 • 2,766 citations

Ion-solvent interaction. Structural aspects of ion-solvent interaction in aqueous solutions: a suggested picture of water structure

1957 • 1,801 citations

Measurement of forces between two mica surfaces in aqueous electrolyte solutions in the range 0–100 nm

1978 • 1,768 citations

Ionic processes in solution

1953 • 751 citations

Mechanism and Thermodynamics of Ion Selectivity in Aqueous Solutions of 18-Crown-6 Ether: A Molecular Dynamics Study

1995 • 511 citations

Chemical physics of ionic solutions

1967 • 491 citations

Molecular Dynamics Simulation of Ion Mobility. 2. Alkali Metal and Halide Ions Using the SPC/E Model for Water at 25 °C

1996 • 484 citations

Computer simulation study of free energy barriers in crystal nucleation

1992 • 380 citations

Development of nonadditive intermolecular potentials using molecular dynamics: Solvation of Li+ and F− ions in polarizable water

1992 • 242 citations

Molecular Dynamics Simulations of the Gramicidin Channel

1994 • 222 citations

The theory of ion transport through membrane channels

1985 • 208 citations

Photoelectron spectra of the hydrated iodine anion from molecular dynamics simulations

1993 • 208 citations

Protonation dynamics of the alpha-toxin ion channel from spectral analysis of pH-dependent current fluctuations

1995 • 194 citations

Current noise reveals protonation kinetics and number of ionizable sites in an open protein ion channel

1993 • 192 citations

Structure and dynamics of ion transport through gramicidin A

1984 • 180 citations

Molecular Dynamics Study of the Dependence of Water Solvation Free Energy on Solute Curvature and Surface Area

1995 • 140 citations

Solvation forces near a graphite surface measured with an atomic force microscope

1992 • 134 citations

Energetics of ion permeation through membrane channels. Solvation of Na+ by gramicidin A

1989 • 133 citations

Water in channel-like cavities: structure and dynamics

1996 • 132 citations

Free Energy of Association of the K+:18-Crown-6 Complex in Water: A New Molecular Dynamics Study

1995 • 124 citations

Free energy barriers to melting in atomic clusters

1994 • 124 citations

Molecular dynamics simulations of water within models of ion channels

1996 • 95 citations

Transport Through Membranes: Carriers, Channels and Pumps

1988 • 84 citations

Free energy changes on freezing and melting ductile metals

1993 • 82 citations

Water and polypeptide conformations in the gramicidin channel. A molecular dynamics study

1989 • 82 citations

Ion-water and ion-polypeptide correlations in a gramicidin-like channel. A molecular dynamics study

1990 • 79 citations

Microscopic approaches to ion transport through transmembrane channels: the model system gramicidin

1987 • 78 citations

The nature of ion and water barrier crossings in a simulated ion channel

1993 • 76 citations

Layering transitions in cylindrical pores

1990 • 73 citations

Monte Carlo studies on the hydrophobic hydration in dilute aqueous solutions of nonpolar molecules

1979 • 66 citations

A semi-microscopic Monte Carlo study of permeation energetics in a gramicidin-like channel: the origin of cation selectivity

1996 • 65 citations

Using computer simulation to study the properties of molecules in micropores

1996 • 63 citations

A computer simulation study of fluids in model slit, tubular, and cubic micropores

1993 • 58 citations

A Monte Carlo study on the size dependence in hydrophobic hydration

1981 • 48 citations

Free energies for association of Cs+ to 18-crown-6 in water. A molecular dynamics study including counter ions

1994 • 45 citations

Molecular dynamics study of a dipolar fluid between charged plates. II

1987 • 39 citations

Contribution of theoretical chemistry to the study of ion transport through membranes

1991 • 35 citations

What is the Natural Boundary of a Protein in Solution?

1993 • 28 citations

Osmotic Flow in Membrane Pores

1995 • 25 citations

Temperature dependence of solvent structure around a hydrophobic solute: a Monte Carlo study of methane in water

1996 • 23 citations

Cation transport in lithium sulphate based crystals

1995 • 23 citations

Computer Modelling in Molecular Biology

1995 • 23 citations

Hindered Diffusion of Confined Hard-Sphere Fluids in Cylindrical Pores.

1993 • 8 citations

The Mechanics of Ionic Motion in Molecular Channels

1994 • 4 citations