Shake-and-Bake: Applications and Advances

Optimization by Simulated Annealing

1983 • 42,775 citations

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

1981 • 621 citations

Three-Dimensional Structure at 0.86 Å of the Uncomplexed form of the Transmembrane Ion Channel Peptide Gramicidin A

1988 • 292 citations

SnB: crystal structure determination via shake-and-bake

1994 • 280 citations

Crystallographic Computing 3: Data Collection, Structure Determination, Proteins and Databases

1985 • 265 citations

A theory of phase determination for the four types of non-centrosymmetric space groups 1P222, 2P22, 3P₁2, 3P₂2

1956 • 250 citations

Crystal structure of vancomycin

1996 • 200 citations

The application of direct methods and Patterson interpretation to high-resolution native protein data

1993 • 161 citations

On the application of phase relationships to complex structures

1968 • 157 citations

On the Application of the Minimal Principle to Solve Unknown Structures

1993 • 154 citations

Structure solution by minimal-function phase refinement and Fourier filtering. II. Implementation and applications

1994 • 150 citations

Solution of the phase problem

2016 • 141 citations

Simultaneous Recognition of a Carboxylate-Containing Ligand and an Intramolecular Surrogate Ligand in the Crystal Structure of an Asymmetric Vancomycin Dimer

1997 • 137 citations

Partial structural information combined with the tangent formula for noncentrosymmetric crystals

1968 • 121 citations

Structure solution by iterative peaklist optimization and tangent expansion in space group P1

1995 • 95 citations

Structure solution by minimal-function phase refinement and Fourier filtering. I. Theoretical basis

1994 • 94 citations

Implementation and Applications

1996 • 89 citations

The 1.1 å crystal structure of the neuronal acetylcholine receptor antagonist, α-conotoxin PnIA from Conus pennaceus

1996 • 86 citations

On the application of phase relationships to complex structures. XVIII.RANTAN–randomMULTAN

1981 • 80 citations

Direct-space methods in phase extension and phase determination. I. Low-density elimination

1992 • 76 citations

Three-Dimensional Structure of the α-Conotoxin GI at 1.2 Å Resolution^,

1996 • 71 citations

Refinement of rubredoxin from Desulfovibrio vulgaris at 1.0 Å with and without restraints

1992 • 69 citations

Crambin: a direct solution for a 400-atom structure

1995 • 67 citations

On the application of phase relationships to complex structures. XXII. Techniques for random phase refinement

1983 • 60 citations

The refinement of atomic parameters by direct calculation of the minimum residual

1963 • 51 citations

Application of the minimal principle to peptide structures

1993 • 30 citations

A Challenging Case for Protein Crystal Structure Determination: the Mating Pheromone Er-1 fromEuplotes raikovi

1996 • 30 citations

A minimal principle in the phase problem

1992 • 24 citations

IMPROVING CRYSTALLOGRAPHIC MACROMOLECULAR IMAGES: THE REAL-SPACE APPROACH

1987 • 24 citations

On the application of phase relationships to complex structures. XIV. The additional use of statistical information in tangent-formula refinement

1978 • 23 citations

Incorporating Tangent Refinement in theShake-and-BakeFormalism

1997 • 20 citations

On the application of phase relationships to complex structures. XVI. A random approach to structure determination

1978 • 20 citations

Looking ahead

1995 • 7 citations

Theab initiostructure and refinement of a scorpion protein toxin

1996 • 4 citations

Simulated annealing applied to molecular structure determination

1994 • 4 citations

On the application of parallel genetic algorithms in X-ray crystallography

2002 • 4 citations

The design of a portable scientific tool

1996 • 2 citations