Calculation of protein conformation by global optimization of a potential energy function

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

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

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

1997 • 297 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

Empirical solvation models can be used to differentiate native from near‐native conformations of bovine pancreatic trypsin inhibitor

1991 • 185 citations

United-residue force field for off-lattice protein-structure simulations: III. Origin of backbone hydrogen-bonding cooperativity in united-residue potentials

1998 • 174 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

Prediction of protein conformation on the basis of a search for compact structures: Test on avian pancreatic polypeptide

1993 • 137 citations

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

1999 • 129 citations

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

1993 • 91 citations

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

1999 • 81 citations

Crystal structure of Escherichia coli HdeA

1998 • 80 citations

Conformational analysis of the 20-residue membrane-bound portion of melittin by conformational space annealing

1998 • 77 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

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