Protein folding simulation with solvent-induced force field: Folding pathway ensemble of three-helix-bundle proteins

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

1977 • 19,896 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

LINCS: A linear constraint solver for molecular simulations

1997 • 14,411 citations

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

1991 • 14,222 citations

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

1995 • 12,826 citations

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

1992 • 6,255 citations

THEORY OF PROTEIN FOLDING: The Energy Landscape Perspective

1997 • 2,102 citations

Structure and Mechanism in Protein Science

2017 • 2,079 citations

Structure and Mechanism in Protein Science. A guide to Enzyme Catalysis and Protein Folding

2001 • 1,799 citations

Spin glasses and the statistical mechanics of protein folding.

1987 • 1,608 citations

Hydrophobicity at Small and Large Length Scales

1999 • 1,602 citations

Principles of protein folding — A perspective from simple exact models

1995 • 1,532 citations

Contact order, transition state placement and the refolding rates of single domain proteins 1 1Edited by P. E. Wright

1998 • 1,508 citations

Amino Acid Preferences for Specific Locations at the Ends of α Helices

1988 • 1,356 citations

How does a protein fold?

1994 • 947 citations

STUDIES ON PROTEIN FOLDING, UNFOLDING AND FLUCTUATIONS BY COMPUTER SIMULATION

1975 • 658 citations

A simple model for calculating the kinetics of protein folding from three-dimensional structures

1999 • 631 citations

Knowledge-based potentials for proteins

1995 • 619 citations

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

1995 • 392 citations

Prediction of protein-folding mechanisms from free-energy landscapes derived from native structures

1999 • 390 citations

Experiment and theory highlight role of native state topology in SH3 folding.

1999 • 382 citations

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

1995 • 348 citations

The folding transition state between SH3 domains is conformationally restricted and evolutionarily conserved.

1999 • 332 citations

A theoretical search for folding/unfolding nuclei in three-dimensional protein structures

1999 • 315 citations

Roles of electrostatic interaction in proteins

1996 • 300 citations

Free Energy Balance in Protein Folding

1995 • 274 citations

Free energy, entropy, and internal energy of hydrophobic interactions: Computer simulations

1993 • 266 citations

Interpreting the folding kinetics of helical proteins

1999 • 262 citations

Exploring the origins of topological frustration: Design of a minimally frustrated model of fragment B of protein A

1999 • 235 citations

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

1996 • 228 citations

Intrinsic β-sheet propensities result from van der Waals interactions between side chains and the local backbone

1999 • 194 citations

Folding dynamics with nonadditive forces: A simulation study of a designed helical protein and a random heteropolymer

1999 • 193 citations

A united-residue force field for off-lattice protein-structure simulations. II. Parameterization of short-range interactions and determination of weights of energy terms by Z-score optimization

1997 • 185 citations

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

1997 • 159 citations

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

1994 • 147 citations

Structural correlations in protein folding funnels

1997 • 126 citations

Pressure-induced protein-folding/unfolding kinetics

1999 • 114 citations

Variational Theory for Site Resolved Protein Folding Free Energy Surfaces

1998 • 107 citations

Fold assembly of small proteins using Monte Carlo simulations driven by restraints derived from multiple sequence alignments

1998 • 94 citations

Solution structure of the albumin-binding GA module: a versatile bacterial protein domain

1997 • 83 citations

The GA module, a mobile albumin‐binding bacterial domain, adopts a three‐helix‐bundle structure

1995 • 28 citations

A small engineered protein lacks structural uniqueness by increasing the side-chain conformational entropy

1996 • 19 citations