Atomic solvation parameters applied to molecular dynamics of proteins in solution

A simple method for displaying the hydropathic character of a protein

1982 • 22,471 citations

<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

1983 • 14,615 citations

The protein data bank: A computer-based archival file for macromolecular structures

1977 • 8,627 citations

The interpretation of protein structures: Estimation of static accessibility

1971 • 5,771 citations

Some Factors in the Interpretation of Protein Denaturation

1959 • 4,817 citations

The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin

1988 • 4,676 citations

AREAS, VOLUMES, PACKING, AND PROTEIN STRUCTURE

1977 • 2,631 citations

Analytical molecular surface calculation

1983 • 2,454 citations

Solvation energy in protein folding and binding

1986 • 1,853 citations

Energy parameters in polypeptides. VII. Geometric parameters, partial atomic charges, nonbonded interactions, hydrogen bond interactions, and intrinsic torsional potentials for the naturally occurring amino acids

1975 • 1,532 citations

Bee and Wasp Venoms

1972 • 1,525 citations

<scp>AMBER</scp>: Assisted model building with energy refinement. A general program for modeling molecules and their interactions

1981 • 1,120 citations

Energy parameters in polypeptides. 9. Updating of geometrical parameters, nonbonded interactions, and hydrogen bond interactions for the naturally occurring amino acids

1983 • 947 citations

Affinities of amino acid side chains for solvent water

1981 • 846 citations

Accessible surface areas as a measure of the thermodynamic parameters of hydration of peptides.

1987 • 737 citations

Solvent accessible surface area and excluded volume in proteins

1984 • 667 citations

Structure of the hydrophobic protein crambin determined directly from the anomalous scattering of sulphur

1981 • 621 citations

The structure of melittin. II. Interpretation of the structure.

1982 • 493 citations

Extracting hydrophobic free energies from experimental data: relationship to protein folding and theoretical models

1991 • 431 citations

[Sequence analysis of melittin from tryptic and peptic degradation products].

1967 • 381 citations

Intermolecular potentials from crystal data. 6. Determination of empirical potentials for O-H...O = C hydrogen bonds from packing configurations

1984 • 343 citations

The crystal structure of cytochrome c peroxidase.

1980 • 339 citations

Sequenzanalyse des Melittins aus den tryptischen und peptischen Spaltstücken

1967 • 332 citations

A rapid approximation to the solvent accessible surface areas of atoms

1988 • 301 citations

Experimental evaluation of the effective dielectric constant of proteins

1980 • 223 citations

Empirical solvation models can be used to differentiate native from near‐native conformations of bovine pancreatic trypsin inhibitor

1991 • 185 citations

Analytical approximation to the accessible surface area of proteins

1980 • 175 citations

High-resolution 1H-NMR studies of self-aggregation of melittin in aqueous solution

1980 • 165 citations

High-resolution 1H-NMR studies of monomeric melittin in aqueous solution

1980 • 137 citations

The refinement and the structure of the dimer of alpha-chymotrypsin at 1.67-A resolution.

1985 • 121 citations

The refinement and the structure of the dimer of alpha-chymotrypsin at 1.67-A resolution.

1985 • 100 citations

Interpretation of protein folding and binding with atomic solvation parameters

1989 • 73 citations

Crystallographic structure of Rhodospirillum molischianum ferricytochrome c′ at 2.5 Å resolution

1981 • 70 citations

Inclusion of solvation free energy with molecular mechanics energy: Alanyl dipeptide as a test case

1992 • 58 citations

Voiding dysfunction in patients with human T-lymphotropic virus type-1-associated myelopathy (HAM)

1989 • 22 citations