Molecular Dynamics Simulations of Isolated Helixes of Myoglobin

Comparison of simple potential functions for simulating liquid water

1983 • 37,746 citations

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

1977 • 19,896 citations

MOLSCRIPT: a program to produce both detailed and schematic plots of protein structures

1991 • 14,222 citations

Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules

1967 • 8,657 citations

Analysis of the accuracy and implications of simple methods for predicting the secondary structure of globular proteins

1978 • 4,566 citations

Formation of a Molten Globule Intermediate Early in the Kinetic Folding Pathway of Apomyoglobin

1993 • 735 citations

Structural Characterization of a Partly Folded Apomyoglobin Intermediate

1990 • 708 citations

Structure and refinement of oxymyoglobin at 1·6 Å resolution

1980 • 641 citations

Protein secondary structure prediction with a neural network.

1989 • 506 citations

Side Chain Contributions to the Stability of Alpha-Helical Structure in Peptides

1990 • 455 citations

Folding of peptide fragments comprising the complete sequence of proteins

1992 • 391 citations

Thermodynamic study of the apomyoglobin structure

1988 • 299 citations

Structural and energetic effects of truncating long ranged interactions in ionic and polar fluids

1985 • 295 citations

Molecular dynamics simulations of helix denaturation

1992 • 237 citations

Three-state analysis of sperm whale apomyoglobin folding

1993 • 226 citations

Molecular dynamics simulations of the unfolding of an .alpha.-helical analog of ribonuclease A S-peptide in water

1991 • 217 citations

Peptide models of protein folding initiation sites. 1. Secondary structure formation by peptides corresponding to the G- and H-helixes of myoglobin

1993 • 175 citations

Structural Origins of pH and Ionic Strength Effects on Protein Stability

1994 • 173 citations

Protein Unfolding Pathways Explored Through Molecular Dynamics Simulations

1993 • 171 citations

Thermodynamics and mechanism of .alpha. helix initiation in alanine and valine peptides

1991 • 154 citations

Thermodynamic Puzzle of Apomyoglobin Unfolding

1994 • 142 citations

Unfolding of an α‐helix in water

1991 • 134 citations

Stability of Myoglobin: A Model for the Folding of Heme Proteins

1994 • 132 citations

Cold Denaturation of the Molten Globule States of Apomyoglobin and a Profile for Protein Folding

1994 • 132 citations

Molecular Mechanisms of Acid Denaturation

1994 • 128 citations

Molecular dynamics simulations of the unfolding of apomyoglobin in water

1993 • 118 citations

Distribution of Helicity within the Model Peptide Acetyl(AAQAA)3amide

1994 • 116 citations

Helicity, Circular Dichroism and Molecular Dynamics of Proteins

1994 • 92 citations

Peptide models of protein folding initiation sites. 3. The G-H helical hairpin of myoglobin

1993 • 85 citations

Hypermethylation of Telomere-like Foldbacks at Codon 12 of the Human c-Ha-ras Gene and the Trinucleotide Repeat of the FMR-1 Gene of Fragile X

1994 • 83 citations

Structural comparison of apomyoglobin and metaquomyoglobin: pH titration of histidines by NMR spectroscopy

1992 • 82 citations

Peptide models of protein folding initiation sites. 2. The G-H turn region of myoglobin acts as a helix stop signal

1993 • 73 citations

Vector and parallel algorithms for the molecular dynamics simulation of macromolecules on shared‐memory computers

1991 • 72 citations

Characterization of “native” apomyoglobin by molecular dynamics simulation

1992 • 64 citations

Conformation of a T cell stimulating peptide in aqueous solution

1989 • 50 citations

Theoretical evidence for water insertion in .alpha.-helix bending: molecular dynamics of Gly30 and Ala30 in vacuo and in solution

1991 • 42 citations