Knowledge-Based Protein Modeling

Basic local alignment search tool

1990 • 87,358 citations

PROCHECK: a program to check the stereochemical quality of protein structures

1993 • 23,689 citations

Dictionary of protein secondary structure: Pattern recognition of hydrogen‐bonded and geometrical features

1983 • 14,802 citations

Comparative Protein Modelling by Satisfaction of Spatial Restraints

1993 • 12,640 citations

A general method applicable to the search for similarities in the amino acid sequence of two proteins

1970 • 11,049 citations

Identification of common molecular subsequences

1981 • 9,753 citations

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

1977 • 8,627 citations

Amino acid substitution matrices from protein blocks.

1992 • 5,998 citations

Rapid and Sensitive Protein Similarity Searches

1985 • 4,091 citations

CLUSTAL: a package for performing multiple sequence alignment on a microcomputer

1988 • 3,446 citations

The Anatomy and Taxonomy of Protein Structure

1981 • 3,376 citations

Prediction of protein conformation

1974 • 3,327 citations

Assessment of protein models with three-dimensional profiles

1992 • 3,317 citations

Model for the structure of bacteriorhodopsin based on high-resolution electron cryo-microscopy

1990 • 2,969 citations

AREAS, VOLUMES, PACKING, AND PROTEIN STRUCTURE

1977 • 2,631 citations

A Method to Identify Protein Sequences That Fold into a Known Three-Dimensional Structure

1991 • 2,629 citations

Aromatic-Aromatic Interaction: A Mechanism of Protein Structure Stabilization

1985 • 2,441 citations

CLUSTAL V: improved software for multiple sequence alignment

1992 • 2,421 citations

Atlas of Protein Sequence and Structure, 1972.

1973 • 2,408 citations

Amino Acid Difference Formula to Help Explain Protein Evolution

1974 • 2,255 citations

An Algorithm for Subgraph Isomorphism

1976 • 2,189 citations

PHYLOGENIES FROM MOLECULAR SEQUENCES: INFERENCE AND RELIABILITY

1988 • 2,143 citations

Progressive sequence alignment as a prerequisitetto correct phylogenetic trees

1987 • 1,899 citations

Hydrogen bonding in globular proteins

1984 • 1,760 citations

An improved algorithm for matching biological sequences

1982 • 1,728 citations

Turns in Peptides and Proteins

1985 • 1,658 citations

Database of homology‐derived protein structures and the structural meaning of sequence alignment

1991 • 1,641 citations

Protein Folding

1992 • 1,601 citations

Stereochemical quality of protein structure coordinates

1992 • 1,503 citations

Stereochemical criteria for polypeptides and proteins. V. Conformation of a system of three linked peptide units

1968 • 1,497 citations

Tertiary templates for proteins

1987 • 1,485 citations

Canonical structures for the hypervariable regions of immunoglobulins

1987 • 1,357 citations

Profile analysis: detection of distantly related proteins.

1987 • 1,308 citations

A new approach to protein fold recognition

1992 • 1,239 citations

[47] Establishing homologies in protein sequences

1983 • 1,187 citations

The nature of the accessible and buried surfaces in proteins

1976 • 1,151 citations

Calculation of conformational ensembles from potentials of mena force

1990 • 1,091 citations

One thousand families for the molecular biologist

1992 • 1,023 citations

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

1988 • 962 citations

β-turns in proteins

1977 • 960 citations

Prosite: a dictionary of sites and patterns in proteins

1992 • 952 citations

Backbone-dependent Rotamer Library for Proteins Application to Side-chain Prediction

1993 • 910 citations

Comparison of super-secondary structures in proteins

1973 • 885 citations

The hydrophobic moment detects periodicity in protein hydrophobicity.

1984 • 877 citations

Exhaustive Matching of the Entire Protein Sequence Database

1992 • 844 citations

Insulin: The Structure in the Crystal and its Reflection in Chemistry and Biology by

1972 • 831 citations

Conformation of amino acid side-chains in proteins

1978 • 777 citations

Disulphide bridges in globular proteins

1981 • 770 citations

Using known substructures in protein model building and crystallography.

1986 • 766 citations

Projection structure of rhodopsin

1993 • 758 citations

Protein Data Bank

1984 • 731 citations

Weakly Polar Interactions In Proteins

1988 • 724 citations

The dead-end elimination theorem and its use in protein side-chain positioning

1992 • 698 citations

Ion-pairs in proteins

1983 • 687 citations

Protein structure alignment

1989 • 683 citations

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

1987 • 653 citations

Chain reversals in proteins

1973 • 652 citations

Hydrophobicity scales and computational techniques for detecting amphipathic structures in proteins

1987 • 637 citations

π-π interactions: the geometry and energetics of phenylalanine-phenylalanine interactions in proteins

1991 • 625 citations

A structural model for the retroviral proteases

1987 • 594 citations

Accurate modeling of protein conformation by automatic segment matching

1992 • 558 citations

β-Hairpin families in globular proteins

1985 • 533 citations

Loops in Globular Proteins: A Novel Category of Secondary Structure

1986 • 533 citations

A possible three-dimensional structure of bovine α-lactalbumin based on that of hen's egg-white lysozyme

1969 • 517 citations

A tool for multiple sequence alignment.

1989 • 508 citations

Definition of general topological equivalence in protein structures

1990 • 506 citations

Gene duplications in the structural evolution of chymotrypsin

1979 • 501 citations

Reverse Turns in Peptides and Protein

1980 • 497 citations

Prosite: a dictionary of sites and patterns in proteins

1991 • 497 citations

On the Theory and Computation of Evolutionary Distances

1974 • 490 citations

A strategy for the rapid multiple alignment of protein sequences

1987 • 482 citations

Conformation of β-hairpins in protein structures

1989 • 476 citations

Protein database searches for multiple alignments.

1990 • 468 citations

Two types of amino acid substitutions in protein evolution

1979 • 463 citations

Left-handed Polyproline II Helices Commonly Occur in Globular Proteins

1993 • 461 citations

New Domain Motif: the Structure of Pectate Lyase C, a Secreted Plant Virulence Factor

1993 • 450 citations

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

1971 • 440 citations

The molecular structure and stability of the eye lens: X-ray analysis of γ-crystallin II

1981 • 432 citations

Analysis of the relationship between side-chain conformation and secondary structure in globular proteins

1987 • 422 citations

Proposed structure for the zinc-binding domains from transcription factor IIIA and related proteins.

1988 • 411 citations

Identification of structural motifs from protein coordinate data: Secondary structure and first‐level supersecondary structure*

1988 • 409 citations

Aligning amino acid sequences: Comparison of commonly used methods

1985 • 400 citations

Hydrogen bonding in globular proteins

1992 • 396 citations

Correlation of DNA exonic regions with protein structural units in haemoglobin

1981 • 394 citations

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

1987 • 394 citations

β-Turns and their distortions: a proposed new nomenclature

1990 • 393 citations

Rapid comparison of protein structures

1982 • 391 citations

Comparative modeling methods: Application to the family of the mammalian serine proteases

1990 • 383 citations

The theory and practice of distance geometry

1983 • 377 citations

Applications and statistics for multiple high-scoring segments in molecular sequences.

1993 • 372 citations

Of urfs and orfs : a primer on how to analyze devised amino acid sequences

1986 • 370 citations

Models for the structure of outer-membrane proteins of Escherichia coli derived from raman spectroscopy and prediction methods

1986 • 365 citations

Contact potential that recognizes the correct folding of globular proteins

1992 • 347 citations

A New Approach to the Rapid Determination of Protein Side Chain Conformations

1991 • 345 citations

Chymotrypsinogen: 2,5-Å crystal structure, comparison with α-chymotrypsin, and implications for zymogen activation

1970 • 345 citations

Topology fingerprint approach to the inverse protein folding problem

1992 • 344 citations

Homology modelling and protein engineering strategy of subtilases, the family of subtilisin-like serine proteinases

1991 • 338 citations

The Conformation of Thermolysin

1974 • 332 citations

Database algorithm for generating protein backbone and side-chain co-ordinates from a Cα trace

1991 • 324 citations

Ligand binding to the β-adrenergic receptor involves its rhodopsin-like core

1987 • 318 citations

Hydrophobic Organization of Membrane Proteins

1989 • 316 citations

Environment‐specific amino acid substitution tables: Tertiary templates and prediction of protein folds

1992 • 314 citations

An improved method of testing for evolutionary homology

1966 • 313 citations

Amino acid substitutions in structurally related proteins a pattern recognition approach

1988 • 307 citations

Identification of native protein folds amongst a large number of incorrect models

1990 • 305 citations

X-ray analysis of the eye lens protein γ-II crystallin at 1·9 Å resolution

1983 • 297 citations

A Structural Basis for Sequence Comparisons

1993 • 290 citations

Exploring structural homology of proteins

1976 • 289 citations

Comparative model-building of the mammalian serine proteases

1981 • 286 citations

Refined structure of baboon α-lactalbumin at 1.7 Å resolution

1989 • 286 citations

SRS—an indexing and retrieval tool for flat file data libraries

1993 • 285 citations

Identification of protein sequence homology by consensus template alignment

1986 • 283 citations

An analysis of incorrectly folded protein models

1984 • 282 citations

Insulin-like growth factor: a model for tertiary structure accounting for immunoreactivity and receptor binding.

1978 • 282 citations

Pattern-induced multi-sequence alignment (PUMA) algorithm employing secondary structure-dependent gap penalties for use in comparative protein modelling

1992 • 281 citations

X-ray analysis (1. 4-Å resolution) of avian pancreatic polypeptide: Small globular protein hormone

1981 • 279 citations

Identification of Tertiary Structure Resemblance in Proteins Using a Maximal Common Subgraph Isomorphism Algorithm

1993 • 278 citations

The theory and practice of distance geometry

1983 • 278 citations

Why do globular proteins fit the limited set of foldin patterns?

1987 • 272 citations

X-ray analysis of βB2-crystallin and evolution of oligomeric lens proteins

1990 • 267 citations

Structure of the reaction center from Rhodobacter sphaeroides R-26 and 2.4.1: symmetry relations and sequence comparisons between different species.

1988 • 264 citations

Molecular and crystal structures of monoclinic porcine pepsin refined at 1.8A˚resolution

1990 • 263 citations

Comparative biosequence metrics

1981 • 259 citations

Furin is a subtilisin-like proprotein processing enzyme in higher eukaryotes

1990 • 259 citations

A 3D building blocks approach to analyzing and predicting structure of proteins

1989 • 252 citations

The Reverse Turn as a Polypeptide Conformation in Globular Proteins

1973 • 249 citations

Knowledge‐based protein modelling and design

1988 • 246 citations

The opsin family of proteins

1986 • 245 citations

Analysis of insertions/deletions in protein structures

1992 • 241 citations

Detection of native‐like models for amino acid sequences of unknown three‐dimensional structure in a data base of known protein conformations

1992 • 239 citations

Homologies in serine proteinases

1970 • 239 citations

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

1987 • 233 citations

Determination of the complete three-dimensional structure of the α-amylase inhibitor tendamistat in aqueous solution by nuclear magnetic resonance and distance geometry

1988 • 231 citations

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

1974 • 230 citations

A rapid method of protein structure alignment

1990 • 228 citations

Prediction of protein side-chain conformation by packing optimization

1991 • 228 citations

Use of techniques derived from graph theory to compare secondary structure motifs in proteins

1990 • 225 citations

Rotamers: To be or not to be?

1993 • 223 citations

Computer-generated models of blood coagulation factor Xa, factor IXa, and thrombin based upon structural homology with other serine proteases.

1982 • 220 citations

Distributions of water around amino acid residues in proteins

1988 • 216 citations

Tertiary structural constraints on protein evolutionary diversity: templates, key residues and structure prediction

1990 • 215 citations

The interaction between phenylalanine rings in proteins

1985 • 214 citations

Structure of donor side components in photosystem II predicted by computer modelling.

1990 • 210 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

Detection of common three‐dimensional substructures in proteins

1991 • 197 citations

Structure of porphobilinogen deaminase reveals a flexible multidomain polymerase with a single catalytic site

1992 • 197 citations

Criteria that discriminate between native proteins and incorrectly folded models

1988 • 197 citations

Comparison of solvent-inaccessible cores of homologous proteins: definitions useful for protein modelling

1987 • 196 citations

Conformations of disulfide bridges in proteins

1990 • 195 citations

Humanization of a mouse monoclonal antibody by CDR–grafting: the importance of framework residues on loop conformation

1991 • 193 citations

SIRIUS

1990 • 193 citations

A hypothetical model for the peptide binding domain of hsp70 based on the peptide binding domain of HLA.

1991 • 191 citations

Construction of validated, non-redundant composite protein sequence databases

1990 • 187 citations

Structural model of the nucleotide-binding conserved component of periplasmic permeases.

1991 • 183 citations

Stereochemical modeling of disulfide bridges. Criteria for introduction into proteins by site-directed mutagenesis

1989 • 182 citations

Modelling the polypeptide backbone with ‘spare parts’ from known protein structures

1989 • 180 citations

Accurate prediction of the stability and activity effects of site-directed mutagenesis on a protein core

1991 • 180 citations

Protein folding

1972 • 178 citations

Recognition of structural domains in globular proteins

1974 • 175 citations

Evolution and the Tertiary Structure of Proteins

1984 • 173 citations

Secondary structure‐based profiles: Use of structure‐conserving scoring tables in searching protein sequence databases for structural similarities

1991 • 170 citations

Molecular Modeling of the HIV-1 Protease and Its Substrate Binding Site

1989 • 168 citations

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

1993 • 163 citations

AN ANALYSIS OF SIDE‐CHAIN CONFORMATION IN PROTEINS*

1979 • 159 citations

A mathematical procedure for superimposing atomic coordinates of proteins

1972 • 158 citations

Three-dimensional structure of catalase from Penicillium vitale at 2.0 Å resolution

1986 • 158 citations

Molecular evolution: computer analysis of protein and nucleic acid sequences.

1990 • 156 citations

Detecting homology of distantly related proteins with consensus sequences

1987 • 155 citations

TOPOGRAPHY OF MEMBRANE PROTEINS

1989 • 155 citations

Fast and simple monte carlo algorithm for side chain optimization in proteins: Application to model building by homology

1992 • 154 citations

Solution structure of murine epidermal growth factor: determination of the polypeptide backbone chain-fold by nuclear magnetic resonance and distance geometry.

1987 • 153 citations

The Atomic Structure of Erythrocruorin in the Light of the Chemical Sequence and its Comparison with Myoglobin

1971 • 152 citations

Modeling α‐helical transmembrane domains: The calculation and use of substitution tables for lipid‐facing residues

1993 • 151 citations

Comparison of the high-resolution structures of the α-amylase inhibitor tendamistat determined by nuclear magnetic resonance in solution and by X-ray diffraction in single crystals

1989 • 150 citations

Optimal protocol and trajectory visualization for conformational searches of peptides and proteins

1992 • 149 citations

A data bank merging related protein structures and sequences

1992 • 148 citations

From comparisons of protein sequences and structures to protein modelling and design

1990 • 148 citations

Modular structural units, exons, and function in chicken lysozyme.

1983 • 147 citations

On the environment of ionizable groups in globular proteins

1984 • 145 citations

Solution structure of human insulin-like growth factor 1: a nuclear magnetic resonance and restrained molecular dynamics study

1991 • 143 citations

Simultaneous comparison of three protein sequences.

1985 • 142 citations

Evolutionary relationships of vertebrate lactate dehydrogenase isozymes A4 (muscle), B4 (heart), and C4 (testis).

1983 • 141 citations

Fast structure alignment for protein databank searching

1992 • 140 citations

X-ray analyses of peptide–inhibitor complexes define the structural basis of specificity for human and mouse renins

1992 • 138 citations

A three-dimensional model of the Photosystem II reaction centre of Pisum sativum

1992 • 137 citations

A novel approach to prediction of the 3‐dimensional structures of protein backbones by neural networks

1990 • 135 citations

Taxonomy and conformational analysis of loops in proteins

1992 • 134 citations

Analysis of side-chain orientations in homologous proteins

1987 • 131 citations

Three-dimensional models of four mouse mast cell chymases. Identification of proteoglycan binding regions and protease-specific antigenic epitopes.

1993 • 128 citations

A new method for building protein conformations from sequence alignments with homologues of known structure

1991 • 126 citations

Myxococcus xanthus spore coat protein S may have a similar structure to vertebrate lens βγ-crystallins

1985 • 125 citations

Rhodopsin's protein and carbohydrate structure: Selected aspects

1984 • 124 citations

An evaluation of the performance of an automated procedure for comparative modelling of protein tertiary structure

1993 • 123 citations

Comparison of goose-type, chicken-type, and phage-type lysozymes illustrates the changes that occur in both amino acid sequence and three-dimensional structure during evolution

1985 • 122 citations

Flexible protein sequence patterns

1990 • 120 citations

The taxonomy of protein structure

1977 • 117 citations

Revised 2.3 Å structure of porcine pepsin: Evidence for a flexible subdomain

1990 • 117 citations

Evaluation and improvements in the automatic alignment of protein sequences

1987 • 114 citations

Computer graphics modelling of human renin

1984 • 114 citations

X-ray structure of human relaxin at 1.5 A. Comparison to insulin and implications for receptor binding determinants.

1991 • 112 citations

The structure of rat mast cell protease II at 1.9-angstrom resolution

1988 • 112 citations

Eye‐lens proteins: The three‐dimensional structure of β‐crystallin predicted from monomeric γ‐crystallin

1981 • 112 citations

Of urfs and orfs: A primer on how to analyze derived amino acid sequences

1987 • 111 citations

Polarity as a criterion in protein design

1989 • 110 citations

Solution structure of murine epidermal growth factor determined by NMR spectroscopy and refined by energy minimization with restraints

1992 • 110 citations

Fragment Ranking in Modelling of Protein Structure

1993 • 110 citations

A Method to Configure Protein Side-chains from the Main-chain Trace in Homology Modelling

1993 • 110 citations

Side-chain clusters in protein structures and their role in protein folding

1991 • 107 citations

Modeling of transmembrane seven helix bundles

1993 • 106 citations

Modeling the anti‐CEA antibody combining site by homology and conformational search

1992 • 106 citations

Molecular anatomy: Phyletic relationships derived from three-dimensional structures of proteins

1990 • 105 citations

Solution structures of the rabbit neutrophil defensin NP-5

1988 • 105 citations

High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor: the analysis of the inhibitor binding and description of the rigid body shift in the enzyme.

1989 • 104 citations

Determination of reliable regions in protein sequence alignments

1990 • 102 citations

Protein model structure evaluation using the solvation free energy of folding.

1990 • 102 citations

Domain flexibility in aspartic proteinases

1992 • 100 citations

Identification of protein folds: Matching hydrophobicity patterns of sequence sets with solvent accessibility patterns of known structures

1990 • 99 citations

Exploration of subsite binding specificity of human cathepsin D through kinetics and rule‐based molecular modeling

1993 • 99 citations

The geometries of interacting arginine‐carboxyls in proteins

1987 • 98 citations

Suboptimal sequence alignment in molecular biology

1991 • 98 citations

Radial Locations of Amino Acid Residues in a Globular Protein: Correlation with the Sequence1

1986 • 97 citations

Improved sensitivity of biological sequence database searches

1990 • 96 citations

Three-dimensional structure of human renin.

1985 • 96 citations

Modeling Side-chain Conformation for Homologous Proteins Using an Energy-based Rotamer Search

1993 • 95 citations

Prediction of the three‐dimensional structures of the biotinylated domain from yeast pyruvate carboxylase and of the lipoylated H‐protein from the pea leaf glycine cleavage system: A new automated method for the prediction of protein tertiary structure

1993 • 94 citations

Relaxin has conformational homology with insulin

1977 • 93 citations

Comparison of protein structures

1985 • 93 citations

Model for haptoglobin heavy chain based upon structural homology.

1980 • 92 citations

Molecular model of the cyclic GMP-binding domain of the cyclic GMP-gated ion channel

1992 • 92 citations

Catching a common fold

1993 • 92 citations

A systematic approach to the comparison of protein structures

1980 • 91 citations

Analysis, design and modification of loop regions in proteins

1988 • 91 citations

Structural relationships in the two-zinc insulin hexamer

1979 • 90 citations

Differences in the amino acid distributions of 3₁₀‐helices and α‐helices

1992 • 88 citations

Dynamic Monte Carlo simulations of globular protein folding/unfolding pathways

1990 • 87 citations

The herbicide binding niche of photosystem II‐a model

1991 • 87 citations

Proposed structure for the DNA-binding domain of the Myb oncoprotein based on model building and mutational analysis

1991 • 87 citations

Loops, bulges, turns and hairpins in proteins

1987 • 86 citations

Tertiary structures, receptor binding, and antigenicity of insulinlike growth factors.

1983 • 85 citations

On the use of the transmembrane domain of bacteriorhodopsin as a template for modeling the three-dimensional structure of guanine nucleotide-binding regulatory protein-coupled receptors.

1992 • 85 citations

A molecular model for the enzyme cytochrome P45017α, a major target for the chemotherapy of prostatic cancer

1990 • 85 citations

Rebuilding flavodoxin from Cα coordinates: A test study

1989 • 84 citations

Molecular structure of the α-lytic protease from Myxobacter 495 at 2·8 Å resolution

1979 • 84 citations

[5] Conformation of β hairpins in protein structures: Classification and diversity in homologous structures

1991 • 83 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

A variable gap penalty function and feature weights for protein 3-D structure comparisons

1992 • 80 citations

Packing interactions in the eye-lens

1989 • 79 citations

Generalized protein tertiary structure recognition using associative memory hamiltonians

1991 • 78 citations

[12] Comparative modeling of homologous proteins

1991 • 78 citations

A predicted three-dimensional structure of human cytochrome P450: implications for substrate specificity

1991 • 78 citations

Structure of α-α-hairpins with short connections

1991 • 76 citations

The Evolution of Dehydrogenases and Kinase

1975 • 76 citations

Engineering of the Lactococcus lactis serine proteinase by construction of hybrid enzymes

1991 • 76 citations

PREDICTION OF THE SURFACE‐INTERIOR DIAGRAM OF GLOBULAR PROTEINS BY AN EMPIRICAL METHOD

1980 • 76 citations

Structural resemblance between the families of bacterial signal-transduction proteins and of G proteins revealed by graph theoretical techniques

1990 • 75 citations

Accommodating Sequence Changes in β-Hairpins in Proteins

1993 • 75 citations

Structural and sequence patterns in the loops of βαβ units

1987 • 73 citations

A holistic approach to protein structure alignment

1989 • 72 citations

The alignment of protein structures in three dimensions

1989 • 72 citations

[42] Phylogenetic relationships from three-dimensional protein structures

1990 • 70 citations

Sequence homologies amongE. coli ribosomal proteins: Evidence for evolutionarily related groupings and internal duplications

1980 • 69 citations

Relaxin and its structural relationship to insulin

1978 • 68 citations

Consistency of optimal sequence alignments

1990 • 66 citations

The carboxyl-terminal region of human interferon γ is important for biological activity: mutagenic and NMR analysis

1991 • 66 citations

A predicted three‐dimensional structure for the carcinoembryonic antigen (CEA)

1992 • 66 citations

Prothoracicotropic hormone has an insulin-like tertiary structure

1987 • 65 citations

Comparison of homologous tertiary structures of proteins

1974 • 65 citations

A method for the simultaneous alignment of three or more amino acid sequences

1986 • 64 citations

Adaptation of plasminogen activator sequences to known protease structures

1983 • 64 citations

A structural model for the chromophore-binding domain of ovine rhodopsin

1982 • 63 citations

Analysis of protein sheet topologies by graph theoretical methods

1992 • 62 citations

The building of protein structures form α‐carbon coordinates

1990 • 62 citations

The first lipocalin with enzymatic activity

1991 • 61 citations

A survey of amino acid side-chain interactions in 21 proteins

1978 • 60 citations

A general method to assess similarity of protein structures, with applications to T4 bacteriophage lysozyme.

1978 • 60 citations

Structural and evolutionary analysis of HLA-D-region products

1984 • 59 citations

An analysis of the periodicity of conserved residues in sequence alignments of G‐protein coupled receptors

1989 • 59 citations

Renin inhibitors. Design and synthesis of a new class of conformationally restricted analogs of angiotensinogen

1988 • 58 citations

Innovations in proteases and their inhibitors

1994 • 58 citations

An automated method for modeling proteins on known templates using distance geometry

1993 • 57 citations

Evaluation of homology modeling of HIV Protease

1990 • 56 citations

New scoring matrix for amino acid residue exchanges based on residue characteristic physical parameters

1987 • 56 citations

A three-dimensional model of an anti-lysozyme antibody

1987 • 55 citations

Comparative Modeling of Proteins in the Design of Novel Renin Inhibitors

1991 • 53 citations

Aromatic Interactions

1986 • 52 citations

Modelling of the human intercellular adhesion molecule‐1, the human rhinovirus major group receptor

1990 • 51 citations

Identification of secondary structures in globular proteins ‐ a new algorithm*

1982 • 51 citations

On the problem of comparing protein structures

1982 • 51 citations

Thermitase, a thermostable subtilisin: Comparison of predicted and experimental structures and the molecular cause of thermostability

1989 • 51 citations

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

1992 • 50 citations

Patterns of loop regions in proteins

1993 • 50 citations

Molecular recognition in protein families: A database of aligned three-dimensional structures of related proteins

1993 • 49 citations

Correctly folded proteins make twice as many hydrophobic contacts

1987 • 48 citations

Complete sequence and model for the C₁ subunit of the carotenoprotein crustacyanin, and model for the dimer, β‐crustacyanin, formed from the C₁ and A₂ subunits with astaxanthin

1991 • 47 citations

Structural Similarities between α-Lytic Protease of Myxobacter 495 and Elastase

1971 • 46 citations

Brain "Identifier Sequence"

1986 • 46 citations

A structural model for ovine rhodopsin

1984 • 45 citations

A simple method to generate non-trivial alternate alignments of protein sequences

1991 • 45 citations

Structure-function relationships in the cysteine proteinases actinidin, papain and papaya proteinase Ω. Three-dimensional structure of papaya proteinase Ω deduced by knowledge-based modelling and active-centre characteristics determined by two-hydronic-state reactivity probe kinetics and kinetics of catalysis

1991 • 45 citations

Three‐dimensional structural resemblance between leucine aminopeptidase and carboxypeptidase A revealed by graph‐theoretical techniques

1992 • 45 citations

Prediction of homologous protein structures based on conformational searches and energetics

1990 • 44 citations

Consistency of optimal sequence alignments

1990 • 43 citations

Protein fold refinement: building models from idealized folds using motif constraints and multiple sequence data

1993 • 42 citations

Algorithms for computing evolutionary similarity measures with length independent gap penalties

1984 • 41 citations

Comparison of the predicted model of α-lytic protease with the X-ray structure

1979 • 40 citations

[Standard conformations of a polypeptide chain in irregular protein regions].

1986 • 39 citations

Towards protein tertiary fold prediction using distance and motif constraints

1991 • 38 citations

Structural models of ribonuclease H domains in reverse transcriptases from retroviruses

1991 • 38 citations

Model of a specific interaction

1981 • 37 citations

Comparing short protein substructures by a method based on backbone torsion angles

1989 • 37 citations

Structural features of neutral protease from Bacillus subtilis deduced from model‐building and limited proteolysis experiments

1990 • 36 citations

A geometrical constraint approach for reproducing the native backbone conformation of a protein

1993 • 34 citations

Defining topologigical equivalences in macromolecules

1991 • 33 citations

Modeling the three–dimensional structure of the monocyte chemo–attractant and activating protein MCAF/MCP-1 on the basis of the solution structure of interleukin-8

1991 • 33 citations

Homology modeling of a heme protein, lignin peroxidase, from the crystal structure of cytochrome c peroxidase

1992 • 32 citations

Algorithms for computing evolutionary similarity measures with length independent gap penalties

1984 • 32 citations

Molecular Modelling Studies on the Binding of Phenylurea Inhibitors to the D 1 Protein of Photosystem II

1990 • 31 citations

A model for the C5a receptor and for T its interaction with the ligand

1991 • 31 citations

Porphobilinogen deaminase and its structural similarity to the bidomain binding proteins

1993 • 30 citations

A fast unbiased comparison of protein structures by means of the Needleman-Wunsch algorithm

1991 • 30 citations

A model for the C5a receptor and for its interaction with the ligand

1991 • 29 citations

Comparative modeling of mammalian aspartate transcarbamylase

1991 • 28 citations

Application of a directed conformational search for generating 3‐D coordinates for protein structures from α‐carbon coordinates

1992 • 28 citations

The Parallel β Helix of Pectate Lyase C: Something to Sneeze at

1993 • 27 citations

Molecular modeling of antibody–antigen complexes between the Brucella abortus O-chain polysaccharide and a specific monoclonal antibody

1991 • 26 citations

LOPAL and SCAMP: techniques for the comparison and display of protein structures

1988 • 25 citations

A predicted three-dimensional structure for the human immunodeficiency virus binding domains of CD4 antigen

1989 • 24 citations

The conformation of insulin-like growth factors: relationships with insulins

1985 • 24 citations

Homology model of thyroxine binding globulin and elucidation of the thyroid hormone binding site

1992 • 24 citations

ON THE THREE‐DIMENSIONAL STRUCTURE OF RELAXIN

1982 • 23 citations

A fast method of comparing protein structures

1984 • 23 citations

Comparison of the modelled thyroxine binding site in TBG with the experimentally determined site in transthyretin

1992 • 23 citations

Towards an automatic method of predicting protein stucture by homology: an evaluation of suboptimal sequence alignments

1992 • 23 citations

An assessment of COMPOSER: a rule-based approach to modelling protein structure.

1990 • 22 citations

Modelling the carbohydrate recognition domain of human E‐selectin

1993 • 20 citations

Orthogonal ββ motifs in proteins

1992 • 19 citations

Peptide analogues of angiotensinogen effect of peptide chain length on renin inhibition

1986 • 19 citations

Comparative molecular modeling and crystallization of P‐30 protein: A novel antitumor protein of Rana pipiens oocytes and early embryos

1992 • 17 citations

Extended Helical Conformation Newly Observed in Protein Folding

1976 • 17 citations

Recognition of functional regions in primary structures using a set of property patterns

1989 • 17 citations

Rat relaxin: insulin-like fold predicts a likely receptor binding region

1982 • 17 citations

Modelling multiple disulphide loop containing polypeptides by random conformation generation. The test cases of α-conotoxin GI and edothelin I

1993 • 17 citations

Computational Molecular Biology

1996 • 16 citations

Conformation and molecular biology of polypeptide hormones I. Insulin, insulin-like grown factor and relaxin

1979 • 15 citations

Molecular model-building of amylin and α-calcitonin gene-related polypeptide hormones using a combination of knowledge sources

1991 • 15 citations

Modeling the structure of pyrococcus furiosus rubredoxin by homology to other X‐ray structures

1993 • 15 citations

Amino acid sequence and molecular modelling of a thermostable two (4Fe-4S) ferredoxin from the archaebacterium Methanococcus thermolithotrophicus

1991 • 14 citations

Prediction of the three‐dimensional structures of the nerve growth factor and epidermal growth factor binding proteins (kallikreins) and an hypothetical structure of the high molecular weight complex of epidermal growth factor with its binding protein

1993 • 14 citations

Occurence of a single helix of the collagen type in globular proteins

1983 • 14 citations

Investigating antibody specificity using computer graphics and protein engineering

1986 • 14 citations

Comparative molecular modeling of Amphioxus calcium vector protein with calmodulin and troponin C

1990 • 12 citations

Building protein backbones from Cα co-ordinates

1992 • 11 citations

Computational approach towards the three‐dimensional structure of E. coli tyrosine aminotransferase

1992 • 11 citations

The shape of things to come?

1988 • 10 citations

Adaptability of restrained molecular dynamics for tertiary structure prediction: application to Crotalus atrox venom phospholipase A₂

1991 • 10 citations

A novel supersecondary structure in globular proteins comprising the collagen-like helix and β-turn

1987 • 10 citations

Three-dimensional structure of protein C inhibitor predicted from structure of α1-antitrypsin with computer graphics

1987 • 8 citations

Analysis of short loops connecting secondary structural elements in proteins

1991 • 8 citations

Computer modeling of two inorganic pyrophosphatases

1992 • 8 citations

[Standard structures in protein molecules. I. Alpha-beta hairpins].

1986 • 7 citations

Structure prediction and modelling

1991 • 7 citations

A Monomeric Insulin from the Casiragua: Molecular Model Building Using Computer Graphics

1981 • 6 citations

Model for the structure of formaldehyde dehydrogenase based on alcohol dehydrogenase

1991 • 6 citations

Generation of potential structures for the G‐domain of chloroplast EF‐Tu using comparative molecular modeling

1990 • 5 citations

Investigation of mechanistic consequences of natural structural variation within the cysteine proteinases by knowledge-based modelling and kinetic methods

1990 • 5 citations

Three-dimensional structure of a B-type chymopapain

1990 • 5 citations

Knowledge-Based Protein Modelling: Human Plasma Kallikrein and Human Neutrophil Defensin

1990 • 5 citations

Comparative modelling of human renin: A retrospective evaluation of the model with respect to the X-ray crystal structure

1994 • 5 citations

Modelling by homology of RNA binding domain

1990 • 4 citations

Modelling of the lignin peroxidase LIII of Phlebia radiata: use of a sequence template generated from a 3-D structure

1993 • 4 citations

Three-dimensional structure and thiol reactivity characteristics of chymopapain M (papaya proteinase IV)

1990 • 4 citations

Confidence limits on the branching order of phylogenetic trees

1993 • 4 citations

Tertiary structure of RNase Pch1 predicted from the model structure of RNase Ms and the crystal structure of RNase T1

1990 • 3 citations

Modelling the lignin peroxidase LIII of Phlebia radiata using a knowledge-based approach

1991 • 2 citations

ChemInform Abstract: Computer‐Graphics Methods in Pharmaceutical Research: Visualisation of Renin Inhibitor Complexes

1986 • 2 citations

Studies of the three-dimensional structure of human renin and its inhibitors.

1984 • 2 citations

Three Dimensional Computer Graphics Models Of Bovine Factor Xa, Factor IXa And Thrombin

1981 • 1 citations