Monte Carlo lattice dynamics and the prediction of protein folds

Equation of State Calculations by Fast Computing Machines

1953 • 34,935 citations

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

1983 • 14,615 citations

The protein data bank: A computer-based archival file for macromolecular structures

1977 • 8,627 citations

Principles that Govern the Folding of Protein Chains

1973 • 6,771 citations

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

1978 • 4,566 citations

Prediction of Protein Secondary Structure at Better than 70% Accuracy

1993 • 2,958 citations

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

1995 • 2,607 citations

What is "liquid"? Understanding the states of matter

1976 • 2,050 citations

Protein Folding

1992 • 1,601 citations

Estimation of effective interresidue contact energies from protein crystal structures: quasi-chemical approximation

1985 • 1,570 citations

Principles of protein folding — A perspective from simple exact models

1995 • 1,532 citations

Multicanonical ensemble: A new approach to simulate first-order phase transitions

1992 • 1,528 citations

A Switch Between Two-, Three-, and Four-stranded Coiled Coils in GCN4 Leucine Zipper Mutants

1993 • 1,456 citations

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

1989 • 1,446 citations

X-Ray Structure of the GCN4 Leucine Zipper, a Two-Stranded, Parallel Coiled Coil

1991 • 1,433 citations

The GCN4 basic region leucine zipper binds DNA as a dimer of uninterrupted α Helices: Crystal structure of the protein-DNA complex

1992 • 964 citations

Analysis and prediction of the different types of β-turn in proteins

1988 • 962 citations

How does a protein fold?

1994 • 947 citations

A synthetic IgG-binding domain based on staphylococcal protein A

1987 • 735 citations

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

1990 • 677 citations

Conserved Sequence and Structural Elements in the HIV-1 Principal Neutralizing Determinant

1990 • 665 citations

Structure of the hydrophobic protein crambin determined directly from the anomalous scattering of sulphur

1981 • 621 citations

Kinetics of Protein Folding

1994 • 572 citations

New Monte Carlo algorithm: Entropic sampling

1993 • 559 citations

Protein folding: Hypotheses and experiments

1987 • 544 citations

Engineering of stable and fast-folding sequences of model proteins.

1993 • 543 citations

Automatic identification of secondary structure in globular proteins

1977 • 507 citations

Protein secondary structure prediction with a neural network.

1989 • 506 citations

Preferential Heterodimer Formation by Isolated Leucine Zippers from Fos and Jun

1989 • 469 citations

Crystal structure of an isoleucine-zipper trimer

1994 • 467 citations

Hydrogen Bonding, Hydrophobicity, Packing, and Protein Folding

1993 • 342 citations

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

1992 • 342 citations

Monte carlo simulations of protein folding. I. Lattice model and interaction scheme

1994 • 298 citations

Structure of the ColE1 Rop protein at 1.7 Å resolution

1987 • 297 citations

LINUS: A hierarchic procedure to predict the fold of a protein

1995 • 270 citations

MONSSTER: a method for folding globular proteins with a small number of distance restraints

1997 • 258 citations

On the concept of linear modified retro-peptide structures

1979 • 255 citations

Metal Ion-Dependent Modulation of the Dynamics of a Designed Protein

1993 • 252 citations

Peptide conformation and protein folding

1993 • 241 citations

Respective roles of short- and long-range interactions in protein folding.

1978 • 235 citations

Monte Carlo Simulation of a First-Order Transition for Protein Folding

1994 • 219 citations

Derivation and testing of pair potentials for protein folding. When is the quasichemical approximation correct?

1997 • 204 citations

A general method for the prediction of the three dimensional structure and folding pathway of globular proteins: Application to designed helical proteins

1993 • 196 citations

Characterization of the critical state in protein folding

1989 • 186 citations

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

1991 • 170 citations

Statistical Mechanics

2012 • 169 citations

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

1994 • 147 citations

Are proteins ideal mixtures of amino acids? Analysis of energy parameter sets

1995 • 147 citations

The Radius of Gyration of an Apomyoglobin Folding Intermediate

1995 • 139 citations

Discretized model of proteins. I. Monte Carlo study of cooperativity in homopolypeptides

1992 • 123 citations

Sequence repeats in α-tropomyosin

1975 • 114 citations

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

1994 • 113 citations

Subdomain Folding of the Coiled Coil Leucine Zipper from the bZIP Transcriptional Activator GCN4

1994 • 112 citations

The role of turns in the structure of an α-helical protein

1993 • 101 citations

The protein-folding problem: the native fold determines packing, but does packing determine the native fold?

1991 • 101 citations

Lattice representations of globular proteins: How good are they?

1993 • 98 citations

Automated modeling of coiled coils: application to the GCN4 dimerization region

1991 • 98 citations

Computer Simulations of Globular Protein Folding and Tertiary Structure

1989 • 97 citations

Protein folding

1991 • 95 citations

The collapse transition of semiflexible polymers. A Monte Carlo simulation of a model system

1986 • 92 citations

Folding proteins with a simple energy function and extensive conformational searching

1996 • 90 citations

De novo and inverse folding predictions of protein structure and dynamics

1993 • 89 citations

Dynamic Monte Carlo simulations of globular protein folding/unfolding pathways

1990 • 87 citations

How Consistent are Molecular Dynamics Simulations?

1993 • 85 citations

Statistical thermodynamics of protein folding: sequence dependence

1994 • 81 citations

A method for predicting protein structure from sequence

1993 • 81 citations

A de novo designed protein shows a thermally induced transition from a native to a molten globule-like state

1992 • 79 citations

Successful prediction of the coiled coil geometry of the GCN4 leucine zipper domain by simulated annealing: Comparison to the X‐ray structure

1993 • 71 citations

Static and dynamic properties of a new lattice model of polypeptide chains

1991 • 61 citations

The Origins of Protein Secondary Structure

1994 • 56 citations

Does a backwardly read protein sequence have a unique native state?

1996 • 55 citations

Monte Carlo simulations on an equilibrium globular protein folding model.

1986 • 55 citations

Statistical thermodynamics of protein folding: Comparison of a mean-field theory with Monte Carlo simulations

1995 • 53 citations

Monte Carlo simulations of the folding of beta-barrel globular proteins.

1988 • 51 citations

Efficient algorithm for the reconstruction of a protein backbone from the α‐carbon coordinates

1992 • 50 citations

Reversal of peptide backbone direction may result in the mirroring of protein structure

1992 • 49 citations

An improved strategy for determining resonance assignments for isotopically enriched proteins and its application to an engineered domain of staphylococcal protein A

1993 • 48 citations

Redesigning the Topology of a Four-Helix-Bundle Protein: Monomeric Rop

1995 • 47 citations

Role of loop-helix interactions in stabilizing four-helix bundle proteins.

1992 • 47 citations

Prediction of Quaternary Structure of Coiled Coils. Application to Mutants of the GCN4 Leucine Zipper

1995 • 46 citations

Monte carlo studies on equilibrium globular protein folding. I. Homopolymeric lattice models of β‐barrel proteins

1987 • 44 citations

Computer modeling and folding of four‐helix bundles

1993 • 44 citations

Effects of compact volume and chain stiffness on the conformations of native proteins.

1992 • 43 citations

Algorithm for rapid reconstruction of protein backbone from alpha carbon coordinates

1997 • 43 citations

A reduced model of short range interactions in polypeptide chains

1995 • 38 citations

Global folding of proteins using a limited number of distance constraints

1993 • 37 citations

Dynamic Monte Carlo study of the folding of a six-stranded Greek key globular protein.

1989 • 37 citations

Monte carlo studies on equilibrium globular protein folding. II. β‐barrel globular protein models

1989 • 34 citations

A method for the prediction of surface “U”-turns and transglobular connections in small proteins

1997 • 34 citations

On the multiple‐minima problem in the conformational analysis of polypeptides. V. Application of the self‐consistent electrostatic field and the electrostatically driven monte carlo methods to bovine pancreatic trypsin inhibitor

1991 • 34 citations

Computer design of idealized β-motifs

1995 • 32 citations

Folding simulations and computer redesign of protein A three‐helix bundle motifs

1996 • 30 citations

Protein folds

1992 • 28 citations

Method for Predicting the State of Association of Discretized Protein Models. Application to Leucine Zippers^†

1996 • 23 citations

Neural network system for the evaluation of side-chain packing in protein structures

1995 • 22 citations

Dynamic Monte Carlo study of the conformational properties of long flexible polymers

1987 • 21 citations

General strategy for covalently stabilizing helical bundles: A novel five-helix bundle protein

1994 • 20 citations

From independent modules to molten globules: observations on the nature of protein folding intermediates.

1993 • 16 citations

A simple technique to estimate partition functions and equilibrium constants from Monte Carlo simulations

1995 • 15 citations

Effect of loop entropy on the helix-coil transition of α-helical, two-chain, coiled coils. 3. Supermatrix formulation of the imperfect-matching model

1984 • 12 citations

Untitled

1995 • 6 citations

Literature

1991 • 3 citations

Contents to volume 16

1995 • 1 citations