Molecular picture of folding of a small α/β 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

Optimized Monte Carlo data analysis

1989 • 2,506 citations

From Levinthal to pathways to funnels

1997 • 2,277 citations

THEORY OF PROTEIN FOLDING: The Energy Landscape Perspective

1997 • 2,102 citations

Computer simulation of liquids

1989 • 1,726 citations

Specific Intermediates in the Folding Reactions of Small Proteins and the Mechanism of Protein Folding

1982 • 1,041 citations

Protein Folding Intermediates: Native-State Hydrogen Exchange

1995 • 980 citations

A Novel, Highly Stable Fold of the Immunoglobulin Binding Domain of Streptococcal Protein G

1991 • 794 citations

The Structure of the Transition State for Folding of Chymotrypsin Inhibitor 2 Analysed by Protein Engineering Methods: Evidence for a Nucleation-condensation Mechanism for Protein Folding

1995 • 745 citations

Protein-folding dynamics

1976 • 626 citations

Toward an outline of the topography of a realistic protein-folding funnel.

1995 • 510 citations

Specific Nucleus as the Transition State for Protein Folding: Evidence from the Lattice Model

1994 • 478 citations

Transient folding intermediates characterized by protein engineering

1990 • 446 citations

Two Crystal Structures of the B1 Immunoglobulin-Binding Domain of Streptococcal Protein G and Comparison with NMR

1994 • 409 citations

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

1995 • 392 citations

Kinetics of protein folding: Nucleation mechanism, time scales, and pathways

1995 • 348 citations

Protein folding funnels: the nature of the transition state ensemble

1996 • 326 citations

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

1989 • 288 citations

Identification and Characterization of the Unfolding Transition State of Chymotrypsin Inhibitor 2 by Molecular Dynamics Simulations

1996 • 228 citations

Rotational freedom of tryptophan residues in proteins and peptides

1983 • 218 citations

Free energy landscape for protein folding kinetics: Intermediates, traps, and multiple pathways in theory and lattice model simulations

1994 • 199 citations

Exploring the folding free energy surface of a three-helix bundle protein

1997 • 159 citations

Constant-temperature free energy surfaces for physical and chemical processes

1993 • 157 citations

Folding of Protein G B1 Domain Studied by the Conformational Characterization of Fragments Comprising Its Secondary Structure Elements

1995 • 142 citations

Fast folding of a prototypic polypeptide: The immunoglobulin binding domain of streptococcal protein G

1994 • 125 citations

Folding of Protein G B1 Domain Studied by the Conformational Characterization of Fragments Comprising Its Secondary Structure Elements

1995 • 124 citations

[Stages in the mechanism of self-organization of protein molecules].

1973 • 120 citations

Folding kinetics of proteins: A model study

1992 • 120 citations

Thermodynamics of protein folding: A statistical mechanical study of a small all-β protein

1997 • 110 citations

Computational approaches to study protein unfolding: Hen egg white lysozyme as a case study

1995 • 95 citations

Insights into protein folding using physical techniques: studies of lysozyme and α -lactalbumin

1995 • 91 citations

Quantum mechanical exchange in a transition metal hydride complex: NMR data for [cp(PPh3)IrH3]+ fitted by a two-dimensional model

1997 • 75 citations

Assessment of Stability Differences in the Protein G B1 and B2 Domains From Hydrogen-Deuterium Exchange: Comparison with Calorimetric Data

1995 • 48 citations

A molecular dynamics simulation study of segment B1 of protein G

1997 • 42 citations

Role of a nonnative interaction in the folding of the protein G B1 domain as inferred from the conformational analysis of the α-helix fragment

1997 • 40 citations

Towards the complete structural characterization of a protein folding pathway: the structures of the denatured, transition and native states for the association/folding of two complementary fragments of cleaved chymotrypsin inhibitor 2. Direct evidence for a nucleation-condensation mechanism

1996 • 40 citations

Molecular Structures in Biology

1993 • 17 citations