LIQUID STATE COMPUTER SIMULATIONS OF BIOMOLECULAR SOLVATION PROBLEMS*

Some Factors in the Interpretation of Protein Denaturation

1959 • 4,817 citations

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

1957 • 1,801 citations

CI study of the water dimer potential surface

1976 • 1,162 citations

Theory of the hydrophobic effect

1977 • 812 citations

Liquid Water: Molecular Correlation Functions from X-Ray Diffraction

1971 • 664 citations

Lecture notes in chemistry

1986 • 646 citations

Molecular association in liquids II. A theory of the structure of water

1951 • 349 citations

Conformational Properties of Macromolecules

1973 • 322 citations

Cooperative effects in simulated water

1979 • 306 citations

Study of the structure of molecular complexes. XIII. Monte Carlo simulation of liquid water with a configuration interaction pair potential

1976 • 292 citations

Aspects of the percolation process for hydrogen-bond networks in water

1979 • 286 citations

Water and Aqueous Solutions

1974 • 244 citations

A neutron diffraction study of hydration effects in aqueous solutions

1977 • 216 citations

Monte Carlo studies on the structure of a dilute aqueous solution of methane

1978 • 191 citations

Nonadditivity of interaction in water trimers

1980 • 186 citations

Monte Carlo calculations in the isothermal-isobaric ensemble. 1. Liquid water

1977 • 158 citations

Structural analysis of molecular solutions based on quasi-component distribution functions. Application to [H2CO]aq at 25.degree.C

1980 • 134 citations

AQUEOUS SOLUBILITY AND THE GAS-HYDRATES. THE METHANE-WATER SYSTEM¹

1962 • 132 citations

New Paths in the Molecular Orbital Approach to Solvation of Biological Molecules

1974 • 124 citations

Free energy of a charge distribution in concentric dielectric continua

1975 • 122 citations

Computer Modeling of Matter

1978 • 108 citations

QUANTUM‐MECHANICAL STUDIES OF ENVIRONMENTAL EFFECTS ON BIOMOLECULES I. HYDRATION OF FORMAMIDE

1973 • 98 citations

Convergence characteristics of Monte Carlo–Metropolis computer simulations on liquid water

1979 • 81 citations

A theoretical study of the structure of liquid water based on quasi-component distribution functions

1977 • 66 citations

A revised empirical potential for conformational, intermolecular, and solvation studies. 1. Evaluation of problem and description of model

1978 • 61 citations

Group contributions to the electrostatic molecular potential

1976 • 61 citations

Monte Carlo computer simulation of hydrophobic bonding

1979 • 48 citations

Monte Carlo simulation of the average force between two ions in a Stockmayer solvent

1975 • 40 citations

Statistical thermodynamic consideration of solvent effects on conformational stability. Supermolecule-continuum model

1974 • 35 citations

Application of an Approximate Percus–Yevick Equation for Liquid Water

1970 • 34 citations

Influence of hydration on the conformational stability and formation of bends in terminally blocked dipeptides

1979 • 31 citations

Statistical state solvation sites

1981 • 17 citations

Heuristic intermolecular potential function for the methane–water interaction based on ab initio quantum‐mechanical calculations

1978 • 11 citations

ChemInform Abstract: STATISTICAL STATE SOLVATION SITES

1981 • 5 citations