Forced unfolding of fibronectin type 3 modules: an analysis by biased molecular dynamics simulations

Canonical dynamics: Equilibrium phase-space distributions

1985 • 20,411 citations

Dictionary of protein secondary structure: Pattern recognition of hydrogen‐bonded and geometrical features

1983 • 14,802 citations

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

1983 • 14,615 citations

A molecular dynamics method for simulations in the canonical ensemble

1984 • 9,063 citations

MOLMOL: A program for display and analysis of macromolecular structures

1996 • 7,169 citations

Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling

1977 • 5,626 citations

Reversible Unfolding of Individual Titin Immunoglobulin Domains by AFM

1997 • 2,985 citations

Proteins: Structures and Molecular Properties

1986 • 2,694 citations

AREAS, VOLUMES, PACKING, AND PROTEIN STRUCTURE

1977 • 2,631 citations

Dynamic strength of molecular adhesion bonds

1997 • 2,444 citations

Pathways to a Protein Folding Intermediate Observed in a 1-Microsecond Simulation in Aqueous Solution

1998 • 1,336 citations

Simulation of activation free energies in molecular systems

1996 • 1,279 citations

Proteins. Structures and molecular properties

1984 • 1,247 citations

Folding-Unfolding Transitions in Single Titin Molecules Characterized with Laser Tweezers

1997 • 1,198 citations

Titins: Giant Proteins in Charge of Muscle Ultrastructure and Elasticity

1995 • 1,195 citations

DNA: An Extensible Molecule

1996 • 979 citations

Constrained reaction coordinate dynamics for the simulation of rare events

1989 • 943 citations

Folding dynamics and mechanism of β-hairpin formation

1997 • 920 citations

Ligand Binding: Molecular Mechanics Calculation of the Streptavidin-Biotin Rupture Force

1996 • 913 citations

The molecular elasticity of the extracellular matrix protein tenascin

1998 • 835 citations

Molecular dynamics study of unbinding of the avidin-biotin complex

1997 • 774 citations

Elasticity and unfolding of single molecules of the giant muscle protein titin

1997 • 735 citations

Unfolding of Titin Immunoglobulin Domains by Steered Molecular Dynamics Simulation

1998 • 692 citations

2.0 Å Crystal Structure of a Four-Domain Segment of Human Fibronectin Encompassing the RGD Loop and Synergy Region

1996 • 621 citations

Van der Waals Picture of Liquids, Solids, and Phase Transformations

1983 • 586 citations

"New View" of Protein Folding Reconciled with the Old Through Multiple Unfolding Simulations

1997 • 514 citations

CHEMICAL FORCE MICROSCOPY

1997 • 473 citations

Targeted Molecular Dynamics Simulation of Conformational Change-Application to the T ↔ R Transition in Insulin

1993 • 413 citations

Structure and distribution of modules in extracellular proteins

1996 • 322 citations

Solution conformations and thermodynamics of structured peptides: molecular dynamics simulation with an implicit solvation model

1998 • 243 citations

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

1996 • 228 citations

Dynamical theory of activated processes in globular proteins.

1982 • 193 citations

Enthalpic Contribution to Protein Stability: Insights from Atom-Based Calculations and Statistical Mechanics

1995 • 182 citations

Acid and Thermal Denaturation of Barnase Investigated by Molecular Dynamics Simulations

1995 • 175 citations

Molecular Dynamics of Elementary Chemical Reactions (Nobel Lecture)

1987 • 173 citations

Free Energy Determinants of Secondary Structure Formation: II. Antiparallel β-Sheets

1995 • 160 citations

RecA binding to a single double-stranded DNA molecule: A possible role of DNA conformational fluctuations

1998 • 159 citations

Binding pathway of retinal to bacterio-opsin: a prediction by molecular dynamics simulations

1997 • 158 citations

A comparison of the folding kinetics and thermodynamics of two homologous fibronectin type III modules

1997 • 123 citations

Solution structure and dynamics of linked cell attachment modules of mouse fibronectin containing the RGD and synergy regions: comparison with the human fibronectin crystal structure 1 1Edited by P. E. Wright

1998 • 118 citations

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

1995 • 95 citations

Module-module interactions in the cell binding region of fibronectin: stability, flexibility and specificity

1997 • 93 citations

Calculation of free energy surfaces using the methods of thermodynamic perturbation theory

1987 • 75 citations

Activation energies by molecular dynamics with constraints

1991 • 70 citations

Structure and function of titin and nebulin

1995 • 67 citations

Chaos in protein dynamics.

1997 • 66 citations

Chaos in protein dynamics

1997 • 64 citations

Stability of a model β-sheet in water

1992 • 41 citations

Proteins unfold in steps

1997 • 41 citations

Conformational transitions using molecular dynamics with minimum biasing

1993 • 40 citations

Refolding simulations of an isolated fragment of barnase into a native-like β hairpin: Evidence for compactness and hydrogen bonding as concurrent stabilizing factors

1997 • 28 citations

Stability of secondary structural elements in a solvent-free environment. II: The β-pleated sheets

1998 • 18 citations

Stability of secondary structural elements in a solvent-free environment. II: the beta-pleated sheets.

1998 • 8 citations