Recent improvements in prediction of protein structure by global optimization of a potential energy function

Principles that Govern the Folding of Protein Chains

1973 • 6,771 citations

Structure and Mechanism in Protein Science

1998 • 1,918 citations

Generalized Cumulant Expansion Method

1962 • 1,684 citations

Modification of the overlap potential to mimic a linear site–site potential

1981 • 1,263 citations

De Novo Protein Design: Fully Automated Sequence Selection

1997 • 1,129 citations

Computer simulation of protein folding

1975 • 1,020 citations

Structure and mechanism

1989 • 843 citations

Using known substructures in protein model building and crystallography.

1986 • 766 citations

Energy parameters in polypeptides. 10. Improved geometrical parameters and nonbonded interactions for use in the ECEPP/3 algorithm, with application to proline-containing peptides

1992 • 675 citations

Boltzmann's principle, knowledge-based mean fields and protein folding. An approach to the computational determination of protein structures

1993 • 380 citations

A united-residue force field for off-lattice protein-structure simulations. I. Functional forms and parameters of long-range side-chain interaction potentials from protein crystal data

1997 • 350 citations

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

1992 • 342 citations

Design of a 20-Amino Acid, Three-Stranded β-Sheet Protein

1998 • 324 citations

New optimization method for conformational energy calculations on polypeptides: Conformational space annealing

1997 • 297 citations

Computation of structures of homologous proteins. .alpha.-Lactalbumin from lysozyme

1974 • 230 citations

What is the probability of a chance prediction of a protein structure with an rmsd of 6 å?

1998 • 215 citations

Protein structure prediction by global optimization of a potential energy function

1999 • 203 citations

Conformational Energy Calculations on Polypeptides and Proteins

1994 • 181 citations

Bacteriocin AS-48, a microbial cyclic polypeptide structurally and functionally related to mammalian NK-lysin

2000 • 172 citations

On the multiple‐minima problem in the conformational analysis of polypeptides. II. An electrostatically driven Monte Carlo method—tests on poly(<scp>L</scp>‐alanine)

1988 • 163 citations

Alignment and Searching for Common Protein Folds Using a Data Bank of Structural Templates

1993 • 163 citations

Energy-based de novo protein folding by conformational space annealing and an off-lattice united-residue force field: Application to the 10-55 fragment of staphylococcal protein A and to apo calbindin D9K

1999 • 144 citations

Analysis and assessment of ab initio three‐dimensional prediction, secondary structure, and contacts prediction

1999 • 129 citations

Progress in protein structure prediction

1997 • 128 citations

Assigning amino acid sequences to 3‐dimensional protein folds

1996 • 103 citations

Low-Energy Structures of Two Dipeptides and Their Relationship to Bend Conformations

1974 • 92 citations

Calculation of protein backbone geometry from α‐carbon coordinates based on peptide‐group dipole alignment

1993 • 91 citations

De novo and inverse folding predictions of protein structure and dynamics

1993 • 89 citations

Conformational space annealing by parallel computations: Extensive conformational search of Met-enkephalin and of the 20-residue membrane-bound portion of melittin

1999 • 74 citations

Recent developments in the theory of protein folding: searching for the global energy minimum

1996 • 70 citations

Protein structure prediction by threading. why it works and why it does not 1 1Edited by F. Cohen

1998 • 57 citations

New developments of the electrostatically driven monte carlo method: Test on the membrane-bound portion of melittin

1998 • 53 citations

Extracting information on folding from the amino acid sequence: Consensus regions with preferred conformation in homologous proteins

1992 • 53 citations

Protein topology prediction through constraint-based search and the evaluation of topological folding rules

1991 • 41 citations

An approximate treatment of long-range interactions in proteins

1977 • 36 citations

Easily Searched Protein Folding Potentials

1996 • 36 citations

Some approaches to the multiple‐minima problem in the calculation of polypeptide and protein structures

1992 • 28 citations

Prediction of protein structure using a knowledge-based off-lattice united-residue force field and global optimization methods

1999 • 26 citations

UNRES

2000 • 8 citations