Modeling of globular proteins

<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

Stereochemistry of polypeptide chain configurations

1963 • 3,351 citations

Canonical structures for the hypervariable regions of immunoglobulins

1987 • 1,357 citations

β-turns in proteins

1977 • 960 citations

Using known substructures in protein model building and crystallography.

1986 • 766 citations

Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. I. General features and binding of methotrexate.

1982 • 737 citations

Structure of myoglobin refined at 2·0 Å resolution

1977 • 676 citations

Knowledge-based prediction of protein structures and the design of novel molecules

1987 • 653 citations

Chain reversals in proteins

1973 • 652 citations

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

1981 • 621 citations

The geometry of the reactive site and of the peptide groups in trypsin, trypsinogen and its complexes with inhibitors

1983 • 580 citations

β-Hairpin families in globular proteins

1985 • 533 citations

Loops in Globular Proteins: A Novel Category of Secondary Structure

1986 • 533 citations

Structure of oxidized poplar plastocyanin at 1·6 Å resolution

1983 • 508 citations

Polar hydrogen positions in proteins: Empirical energy placement and neutron diffraction comparison

1988 • 498 citations

Tests for comparing related amino-acid sequences. Cytochrome c and cytochrome c551

1971 • 440 citations

Refinement of the structure of carp muscle calcium-binding parvalbumin by model building and difference fourier analysis

1975 • 433 citations

Prediction of the folding of short polypeptide segments by uniform conformational sampling

1987 • 428 citations

Structure and refinement of penicillopepsin at 1.8 Å resolution

1983 • 405 citations

Knowledge based modelling of homologous proteins, part I: three-dimensional frameworks derived from the simultaneous superposition of multiple structures

1987 • 394 citations

Refined crystal structure of carboxypeptidase a at 1·54 Å resolution

1983 • 391 citations

An improved method of testing for evolutionary homology

1966 • 313 citations

Structure of erythrocruorin in different ligand states refined at 1·4 Å resolution

1979 • 304 citations

Comparative model-building of the mammalian serine proteases

1981 • 286 citations

An analysis of incorrectly folded protein models

1984 • 282 citations

Refinement of human lysozyme at 1.5 Å resolution analysis of non-bonded and hydrogen-bond interactions

1981 • 276 citations

Molecular structure of a dimer composed of the variable portions of the Bence-Jones protein REI refined at 2.0-Å resolution

1975 • 266 citations

An algorithm for determining the conformation of polypeptide segments in proteins by systematic search

1986 • 261 citations

The active site of aspartic proteinases

1984 • 257 citations

Two-Angstrom Crystal Structure of Oxidized Chromatium High Potential Iron Protein

1974 • 242 citations

The crystal structure of a post‐synaptic neurotoxin from sea snake at 2.2 Å resolution

1976 • 236 citations

Knowledge based modelling of homologous proteins, part II: rules for the conformations of substituted sidechains

1987 • 233 citations

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

1974 • 230 citations

Structure of the semiquinone form of flavodoxin from Clostridium MP

1977 • 221 citations

Structures of product and inhibitor complexes of Streptomyces griseus protease A at 1.8 Å resolution

1980 • 214 citations

Cis-trans energy difference for the peptide bond in the gas phase and in aqueous solution

1988 • 213 citations

Predicting antibody hypervariable loop conformations II: Minimization and molecular dynamics studies of MCPC603 from many randomly generated loop conformations

1986 • 208 citations

Three-dimensional structure, specificity and catalytic mechanism of renin

1983 • 207 citations

The Predicted Structure of Immunoglobulin D1.3 and Its Comparison with the Crystal Structure

1986 • 206 citations

On the disordered activation domain in trypsinogen: chemical labelling and low-temperature crystallography

1982 • 204 citations

Structure of antibody hypervariable loops reproduced by a conformational search algorithm

1988 • 200 citations

Refinement of the model of a protein: rubredoxin at 1.5 Å resolution

1973 • 198 citations

Criteria that discriminate between native proteins and incorrectly folded models

1988 • 197 citations

Structure of the complex of Streptomyces griseus protease B and the third domain of the turkey ovomucoid inhibitor at 1.8-.ANG. resolution

1983 • 193 citations

A comparison of the structures of apo dogfish M4 lactate dehydrogenase and its ternary complexes

1976 • 189 citations

Structure of bovine liver rhodanese

1978 • 187 citations

Structure and refinement at 1.8 Å resolution of the aspartic proteinase from Rhizopus chinensis

1987 • 186 citations

Repeating Sequences and Gene Duplication in Proteins

1989 • 181 citations

Structure of Peptococcus aerogenes ferredoxin. Refinement at 2 A resolution.

1976 • 163 citations

Crystallographic refinement of Japanese quail ovomucoid, a Kazal-type inhibitor, and model building studies of complexes with serine proteases

1982 • 142 citations

Analysis of side-chain orientations in homologous proteins

1987 • 131 citations

Analysis of sequence-similar pentapeptides in unrelated protein tertiary structures

1987 • 118 citations

Modelling of the combining sites of three anti-lysozyme monoclonal antibodies and of the complex between one of the antibodies and its epitope.

1986 • 110 citations

Comparison of two independently refined models of ribonuclease-A

1986 • 98 citations

Four classes of β-hairpins in proteins

1986 • 97 citations

Analysis of the tertiary structure of protein β-sheet sandwiches

1981 • 95 citations

Construction of side-chains in homology modelling

1989 • 93 citations

Crystallographic refinement of the structure of actinidin at 1.7 Å resolution by fast Fourier least-squares methods

1980 • 85 citations

Critical evaluation of comparative model building of Streptomyces griseus trypsin

1984 • 83 citations

Construction of a model for the three-dimensional structure of human renal renin.

1985 • 82 citations

The barrier to internal rotation in monosubstituted amides

1971 • 79 citations

Structural and sequence patterns in the loops of βαβ units

1987 • 73 citations

Structure of a mercaptan-thermolysin complex illustrates mode of inhibition of zinc proteases by substrate-analog mercaptans

1982 • 67 citations

Structure, Dynamics and Function of Biomolecules

1987 • 60 citations

A hypothetical space-filling model of the V-regions of the galactan-binding myeloma immunoglobulin J539☆

1981 • 58 citations

Spatially constrained minimization of macromolecules

1986 • 50 citations

Model of a specific interaction

1981 • 37 citations

Energy Minimization for Tertiary Structure Prediction of Homologous Proteins: α₁-purothionin and Viscotoxin A3 Models from Crambin

1985 • 37 citations

Overview of refinement in macromolecular structure analysis

1985 • 29 citations

A predictive method for determining possible three-dimensional foldings of immunoglobulin backbones around antibody combining sites

1981 • 28 citations

Determination of three‐dimensional protein structures from nuclear magnetic resonance data using fragments of known structures

1987 • 27 citations

Prediction of the structure of proteins using related structures, energy minimization and computer graphics

1987 • 15 citations

Structure, Dynamics and Function of Biomolecules

1988 • 13 citations

Computer aided prediction and evaluation of the tertiary structure for rat elastase II

1986 • 11 citations

A catalogue of phi, psi and omega torsion angles for tetrapeptides in proteins

1986 • 3 citations