First-Principles Calculation of the Folding Free Energy of a Three-Helix Bundle Protein

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

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

1983 • 14,615 citations

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

1967 • 8,657 citations

THE weighted histogram analysis method for free‐energy calculations on biomolecules. I. The method

1992 • 6,255 citations

Dominant forces in protein folding

1990 • 3,682 citations

Funnels, pathways, and the energy landscape of protein folding: A synthesis

1995 • 2,607 citations

Principles of protein folding — A perspective from simple exact models

1995 • 1,532 citations

The molten globule state as a clue for understanding the folding and cooperativity of globular‐protein structure

1989 • 1,446 citations

Crystallographic refinement and atomic models of a human Fc fragment and its complex with fragment B of protein A from Staphylococcus aureus at 2.9- and 2.8-A resolution.

1981 • 1,432 citations

Stability of Protein Structure and Hydrophobic Interaction

1988 • 1,293 citations

Crystallographic refinement and atomic models of a human Fc fragment and its complex with fragment B of protein A from Staphylococcus aureus at 2.9- and 2.8-.ANG. resolution

1981 • 1,286 citations

Navigating the Folding Routes

1995 • 1,193 citations

Protein folding funnels: a kinetic approach to the sequence-structure relationship.

1992 • 923 citations

Evidence for a molten globule state as a general intermediate in protein folding

1990 • 677 citations

Computer simulation

1988 • 628 citations

Computer Simulation of Liquids

1989 • 549 citations

Protein folding: Hypotheses and experiments

1987 • 544 citations

Protein folding dynamics: The diffusion‐collision model and experimental data

1994 • 444 citations

Use of fast protein size-exclusion liquid chromatography to study the unfolding of proteins which denature through the molten globule

1993 • 434 citations

A Review of Hierarchical Classification

1987 • 364 citations

A thermodynamic analysis of solvation

1988 • 355 citations

Three-dimensional solution structure of the B domain of staphylococcal protein A: comparisons of the solution and crystal structures

1992 • 342 citations

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

1985 • 295 citations

Theory of cooperative transitions in protein molecules. I. Why denaturation of globular protein is a first‐order phase transition

1989 • 288 citations

Theoretical studies of protein folding and unfolding

1995 • 261 citations

Thermodynamic analysis of the folding of the streptococcal protein G IgG-binding domains B1 and B2: why small proteins tend to have high denaturation temperatures

1992 • 250 citations

Simulations of peptide conformational dynamics and thermodynamics

1993 • 212 citations

Entropy of hydrophobic hydration: a new statistical mechanical formulation

1992 • 186 citations

How does protein folding get started?

1989 • 184 citations

The molten globule is a third thermodynamical state of protein molecules

1994 • 172 citations

Dynamic Monte Carlo simulations of a new lattice model of globular protein folding, structure and dynamics

1991 • 170 citations

A Guide to Monte Carlo for Statistical Mechanics: 1. Highways

1977 • 161 citations

Constant-temperature free energy surfaces for physical and chemical processes

1993 • 157 citations

Monte carlo simulations of protein folding. II. Application to protein A, ROP, and crambin

1994 • 147 citations

Structural Studies on the Four Repetitive Fc-Binding Regions in Protein A from Staphylococcus aureus

1977 • 129 citations

An efficient agglomerative clustering algorithm using a heap

1991 • 122 citations

Prediction of the Folding Pathways and Structure of the GCN4 Leucine Zipper

1994 • 113 citations

A method for predicting protein structure from sequence

1993 • 81 citations

Characterization of “native” apomyoglobin by molecular dynamics simulation

1992 • 64 citations

Helix-Coil, Liquid Crystal, and Spin Glass Transitions of a Collapsed Heteropolymer

1995 • 59 citations

Dynamic Structure and Potential Energy Surface of a Three-Helix Bundle Protein

1994 • 56 citations

Protein folding↔unfolding dynamics

1994 • 54 citations

Molecular simulations of peptide and protein unfolding: in quest of a molten globule

1993 • 35 citations

Equilibrium Unfolding Studies of Horse Muscle Acylphosphatase

1994 • 20 citations

Selection of partitions from a hierarchy

1993 • 18 citations