A method to identify protein sequences that fold into a known three-dimensional structure.

No abstract is available for this paper.

• Publication year

  1991

• Venue

  Science

• Publication date

  Unknown publication date

• Fields of study

  Biology, Medicine, Computer Science

• Identifiers
  DOI 10.1126/science.1853201PMID 1853201
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Comparison of the periplasmic receptors for L-arabinose, D-glucose/D-galactose, and D-ribose. Structural and Functional Similarity.

  1991cited by this paper
• Secondary structure‐based profiles: Use of structure‐conserving scoring tables in searching protein sequence databases for structural similarities

  1991cited by this paper
• Database of homology‐derived protein structures and the structural meaning of sequence alignment

  1991cited by this paper
• Atomic structure of the actin: DNase I complex

  1990cited by this paper
• Definition of general topological equivalence in protein structures. A procedure involving comparison of properties and relationships through simulated annealing and dynamic programming.

  1990cited by this paper
• Searching through sequence databases.

  1990cited by this paper
• Predicted structures of cAMP binding domains of type I and II regulatory subunits of cAMP-dependent protein kinase.

  1990cited by this paper
• Deciphering the message in protein sequences: tolerance to amino acid substitutions.

  1990cited by this paper
• Three-dimensional structure of the ATPase fragment of a 70K heat-shock cognate protein

  1990cited by this paper
• How big is the universe of exons?

  1990cited by this paper
• Additivity of mutational effects in proteins.

  1990cited by this paper
• Replacements of Pro86 in phage T4 lysozyme extend an alpha-helix but do not alter protein stability.

  1990cited by this paper
• FNR and its role in oxygen-regulated gene expression in Escherichia coli.

  1990cited by this paper
• Predicted structures of the cGMP binding domains of the cGMP-dependent protein kinase: a key alanine/threonine difference in evolutionary divergence of cAMP and cGMP binding sites.

  1989cited by this paper
• Alternative packing arrangements in the hydrophobic core of lambda repressor.

  1989cited by this paper
• Protein structure alignment.

  1989cited by this paper
• High-resolution structure of the temperature-sensitive mutant of phage lysozyme, Arg 96----His.

  1989cited by this paper
• Influence of interior packing and hydrophobicity on the stability of a protein.

  1989cited by this paper
• Identifying determinants of folding and activity for a protein of unknown structure.

  1989cited by this paper
• Combinatorial cassette mutagenesis as a probe of the informational content of protein sequences.

  1988cited by this paper
• Contributions of hydrogen bonds of Thr 157 to the thermodynamic stability of phage T4 lysozyme

  1988cited by this paper
• The exon theory of genes.

  1987cited by this paper
• Profile analysis: detection of distantly related proteins.

  1987cited by this paper
• The evolution of protein structures.

  1987cited by this paper
• Determinants of a protein fold. Unique features of the globin amino acid sequences.

  1987cited by this paper
• Proteins

  1987cited by this paper
• Tertiary templates for proteins. Use of packing criteria in the enumeration of allowed sequences for different structural classes.

  1987cited by this paper
• Structure of a complex of catabolite gene activator protein and cyclic AMP refined at 2.5 A resolution.

  1987cited by this paper
• Protein architecture and the origin of introns.

  1987cited by this paper
• Solvation energy in protein folding and binding

  1986cited by this paper
• The crystallographically determined structures of atypical strained disulfides engineered into subtilisin.

  1986cited by this paper
• The protein identification resource (PIR).

  1986cited by this paper
• Gene product of v-fgr onc: hybrid protein containing a portion of actin and a tyrosine-specific protein kinase.

  1984cited by this paper
• Predicted structure of the sugar-binding site of the lac repressor

  1984cited by this paper
• A comprehensive set of sequence analysis programs for the VAX

  1984cited by this paper
• Molecular technology: Designing proteins and peptides

  1983cited by this paper
• Sequence homology between Lac and Gal repressors and three sugar-binding periplasmic proteins

  1983cited by this paper
• Evolution of proteins formed by beta-sheets. II. The core of the immunoglobulin domains.

  1982cited by this paper
• The cAMP-binding domains of the regulatory subunit of cAMP-dependent protein kinase and the catabolite gene activator protein are homologous.

  1982cited by this paper
• Molecular engineering: An approach to the development of general capabilities for molecular manipulation.

  1981cited by this paper
• How different amino acid sequences determine similar protein structures: the structure and evolutionary dynamics of the globins.

  1980cited by this paper
• Prediction of the secondary structure of proteins from their amino acid sequence.

  1978cited by this paper
• Packing of alpha-helices: geometrical constraints and contact areas.

  1978cited by this paper
• The Protein Data Bank: a computer-based archival file for macromolecular structures.

  1977cited by this paper
• Structure of myoglobin refined at 2-0 A resolution. I. Crystallographic refinement of metmyoglobin from sperm whale.

  1977cited by this paper
• Structural patterns in globular proteins

  1976cited by this paper
• Computer simulation of protein folding

  1975cited by this paper
• The interpretation of protein structures: estimation of static accessibility.

  1971cited by this paper
• A general method applicable to the search for similarities in the amino acid sequence of two proteins.

  1970cited by this paper
• Methods in Enzymology

  1968cited by this paper
• Atlas of Protein Sequence and Structure, 1966

  1967cited by this paper
• Atlas of protein sequence and structure

  1965cited by this paper
• and as an in

  year unknowncited by this paper

• Integrated phytochemical and computational approaches to identify candidate Bcl-2 inhibitors from Caesalpinia mimosoides: Toward translational anticancer strategies.

  2026cites this paper
• Machine Learning and Molecular Modeling for Drug Repurposing Targeting Potential PI3Kα Inhibitors in Post-CoViD-19 Pulmonary Fibrosis

  2026cites this paper
• In silico evaluation of Candida species enolase as a therapeutic target for routine antifungal agents against candidiasis

  2026cites this paper
• Profile of David Baker, Demis Hassabis, and John Jumper: 2024 Nobel laureates in chemistry.

  2026cites this paper
• More Accurate Binding Affinity Prediction Using Protein Homology and Ligand-Based Transfer Learning.

  2026cites this paper
• Lung cancer targeting by trimethoxy flavans: a molecular simulation study.

  2026cites this paper
• Entropy Quantum Computing for Fixed-Backbone Protein Design

  2026cites this paper
• SIRT7 as a context-dependent biomarker and therapeutic target: Insights from a pan-cancer study

  2026cites this paper
• Designing a Multi‐Epitope Vaccine Against NOTCH1 and NOTCH4: A Computational Approach for Triple‐Negative Breast Cancer

  2026cites this paper
• Computational engineering of Amphibalanus amphitrite CP19k cement protein to design reduced immunogenicity underwater bioadhesive

  2026cites this paper
• Comparative evolutionary and structural bioinformatic analysis of the human N-Acetyltransferase-2 (NAT2) gene with different mammalian and avian taxa

  2026cites this paper
• Computational design of carbohydrate binding modules-fused PETase like enzyme for enhanced polycaprolactone (PCL) degradation: structural insights, molecular dynamics, and QM/MM simulations.

  2026cites this paper
• Beyond MIDAS: An In Silico Study of a Putative Noncanonical C16 Binding Site in αvβ3 Integrin.

  2026cites this paper
• Deciphering the structural insights and concentration-dependent dimerisation of endo-β-1,4-xylanase (AcXyn30B_12) from Acetivibrio clariflavus using SAXS and computational methods.

  2026cites this paper
• Structural Characterization and Functional Annotation of Hypothetical Proteins in the Multidrug‐Resistant Strains of Pseudomonas aeruginosa

  2026cites this paper
• Computational insights and impact of combinatorial peptidomimetics on immune escape SARS-CoV-2 variants.

  2026cites this paper
• In silico structural and dynamic stability analysis of an endo-1,4-β-xylanase from Agrobacterium sp. strain DKPNP3, isolated from the gut of Gonocephalum sp.

  2026influential citation
• Protein Structure Prediction Methods.

  2026cites this paper
• Coral-Derived Antimicrobial Peptides Identified In Silico from Acropora digitifera Transcriptomes: Potential Candidates Against Resistant Pathogens

  2025cites this paper
• In Silico Structural Modeling of the HuR-mRNA Complex: Insights into Structural and Functional Regulation

  2025cites this paper
• The Charge-driven Engineering of Mnemiopsin 2: Impact of Serine 35 Mutation on Activity and Stability

  2025cites this paper
• Identifying and Prioritizing Potential Inhibitors Targeting MurN in Enterococcus faecalis V583: A Promising Strategy for Combating Antibiotic Resistance

  2025cites this paper
• Targeting Streptococcus pyogenes atpF protein for multi-epitope vaccine development: a genomics-driven immunoinformatics strategy

  2025cites this paper
• In Silico Evaluation of Quinolone–Triazole and Conazole–Triazole Hybrids as Promising Antimicrobial and Anticancer Agents

  2025influential citation
• Metabolic Interactions of Side-chain Extended and Unsaturated Vitamin D Analogs with Cytochrome P450 Enzymes: Integrating Theoretical and Experimental Approaches

  2025cites this paper
• Molecular docking to homology models of human and Trypanosoma brucei ERK8 that identified ortholog-specific inhibitors

  2025cites this paper
• Plant Lipases as Versatile Biocatalysts: Experimental and Computational Insights into Castor Bean (Ricinus communis L.) Catalysis

  2025cites this paper
• Comparative Molecular Docking Analysis of Carbapenem Antibiotics with Ndm-1 and OXA-23 Β-Lactamases: Insights into Binding Mechanisms

  2025cites this paper
• Computational insights and insecticidal activity of black gram defensin proteins against bruchids (Callosobruchus maculatus)

  2025cites this paper
• Molecular identification and functional analysis of HrpZ2, a new member of the harpin superfamily from Pseudomonas syringae, inducing hypersensitive response in tobacco

  2025influential citation
• In Silico Design of a Multiepitope Vaccine Against Intestinal Pathogenic Escherichia coli Based on the 2011 German O104:H4 Outbreak Strain Using Reverse Vaccinology and an Immunoinformatic Approach

  2025cites this paper
• SNMPs Function as Molecular Bridges between OBPs and ORs in the Olfactory Recognition of Clostera Retitura (Walker) (Lepidoptera: Notodontidae)

  2025cites this paper
• Structural variations of transketolases over the evolution from bacteria to higher eukaryotes: In silico/in vitro study.

  2025cites this paper
• Beta-lactamases in lactic acid bacteria: Dual role in antimicrobial resistance spread and environmental detoxification of antibiotic residues.

  2025cites this paper
• Plasma membrane folate transport in fungi and plants is mediated by members of the oligopeptide transporter (OPT) family

  2025cites this paper
• Molecular insights into particular mutations impact on Taq polymerase dynamics and structure: a molecular dynamics simulation study.

  2025cites this paper
• Immunotherapeutic Approach for Improving the Efficacy of a Novel Subunit Vaccine Against SARS-CoV-2 by Cytotoxic T-Lymphocytes (CTL) Epitopes

  2025cites this paper
• Targeting Two Odorant-Binding Proteins in Acyrthosiphon pisum: Discovery of Novel Jasmone Derivatives as Aphid Repellents.

  2025cites this paper
• Modeling, virtual screening, and enzymatic docking of trehalose 6‐phosphate phosphatase and evaluation of the insecticidal effect of phthalimide, N‐(p‐tolylsulfonyl) on Aedes aegypti (Diptera: Culicidae)

  2025cites this paper
• Preserving structural integrity: fold reproducibility in computational design of proteins non-homologous to wild-type sequences.

  2025cites this paper
• An in-silico approach for structural and functional annotation of an uncharacterized protein of human papillomavirus (HPV)

  2025cites this paper
• Extracting Residue Solvent Exposure from Covalent Labeling Data with Machine Learning: A Hybrid Approach for Protein Structure Prediction.

  2025cites this paper
• Unveiling new Kv1.3 channel blockers from scorpion venom: Characterization of Meuk7-3 and in silico design of its analogs for enhanced affinity and therapeutic potential.

  2025cites this paper
• Tandem duplication of P450 genes is involved in homoterpene biosynthesis in lima bean (Phaseolus lunatus)

  2025cites this paper
• Immunoinformatics-Based development of a Multi-Epitope vaccine candidate targeting coinfection by Klebsiella pneumoniae and Acinetobacter baumannii

  2025cites this paper
• Computational insights into CHST11 and CHST13: homology modeling, molecular docking, and dynamics simulation for novel therapeutic targeting in cancers.

  2025cites this paper
• Computational design of a multi-epitope mRNA vaccine against orthopoxviruses: A path toward comprehensive poxvirus protection

  2025cites this paper
• Integrated machine learning and deep learning-based virtual screening framework identifies novel natural GSK-3β inhibitors for Alzheimer’s disease

  2025cites this paper
• ACE2‐rich cells‐targeted fluorescence imaging using newly discovered peptides from SARS‐CoV‐2 epitopes and neutralizing antibodies

  2025cites this paper
• Thermal behavior and flavor adsorption mechanisms of micro-nano particles containing the key volatile organic compounds from roasted ducks: Insights from structural properties and molecular interactions

  2025cites this paper
• Functional transformation of Leucine-Rich Repeat (LRR) PolyGalacturonase Inhibitor Protein (PGIP) of Moringa oleifera by dual mutation E146G and E218K in defense against Cercospora baticola.

  2025cites this paper
• KLHL23 and RhoGDI coordinate CDC42 inactivation ensuring membrane homeostasis.

  2025cites this paper
• In silico approach for a multi-epitope, multi-stage vaccine construct against human hookworm infection

  2025cites this paper
• Boeravinone derivatives from Boerhavia diffusa potently target GMP synthase in drug-resistant Acinetobacter baumannii: An AI-guided in silico approach to combat antimicrobial resistance.

  2025cites this paper
• Computational epitope-based vaccine design with bioinformatics approach; a review

  2025cites this paper
• Structure prediction and engineering of de novo proteins.

  2025cites this paper
• In silico methods for drug-target interaction prediction

  2025cites this paper
• Critical assessment of AI-based protein structure prediction: Fundamental challenges and future directions in drug discovery

  2025cites this paper
• DPFunc: accurately predicting protein function via deep learning with domain-guided structure information

  2025cites this paper
• In vitro and in silico studies of GST-inhibitory and larvicidal activities of alkaloids against Rhipicephalus microplus.

  2025cites this paper
• Lectin Gene Families in Three Phaseolus Species: Genome-Wide Identification, Evolutionary Analysis, Pleiotropic Effect, and Regulation Under Multiple Stress Conditions

  2025cites this paper
• Molecular, Structural and Functional Characterization of Antheraea mylitta Expressed Cocoonase: An Integrative Approach

  2025cites this paper
• Rational Design of Alginate Lyase AlgL3199 for Thermal Stability and Specific Activity Enhancement.

  2025cites this paper
• An anti-idiotypic single domain antibody as Cry2Aa toxin mimotope and analysis of its binding region through molecular docking

  2025cites this paper
• Synthesis of an Adjuvant-Free Single Polypeptide-Based Tuberculosis Subunit Vaccine that Elicits In Vivo Immunogenicity in Rats.

  2025cites this paper
• CAR T cells re-directed by a rationally designed human peptide tag demonstrate efficacy in preclinical models.

  2025cites this paper
• Virtual Screening for the Discovery of Novel Urease Inhibitors Targeting Rumen Bacterial Urease

  2025cites this paper
• Discovery and In Silico Characterization of Anatolian Water Buffalo Rumen-Derived Bacterial Thermostable Xylanases: A Sequence-Based Metagenomic Approach

  2025cites this paper
• Targeting D-Ribose-Binding Proteins in Brucella melitensis: A Novel Frontier Against Antibiotic Resistance

  2025influential citation
• Structural and functional implications of ABCC1 variants on clinical statin response

  2025cites this paper
• In silico studies to understand the interactions of flavonoid inhibitor with nsp12-RNA dependent RNA polymerase of SARS-CoV-2 and its homologs

  2025cites this paper
• Solution Structure and NMR Chemical Shift Perturbations of the Arabidopsis BCCP1 Identify Intersubunit Interactions Potentially Involved in the Assembly of the Heteromeric Acetyl‐CoA Carboxylase

  2025cites this paper
• In silico identification of novel ligands targeting stress-related human FKBP5 protein in mental disorders

  2025cites this paper
• Structural insights into the fusion of annexin A5 and fluorescent proteins generating hundredfold differentiated binding affinities to phosphatidylserine

  2025cites this paper
• Comprehensive biochemical, molecular and structural characterization of subtilisin with fibrinolytic potential in bioprocessing

  2025cites this paper
• The integration of artificial intelligence and protein science: the protein structure prediction and protein design revolution behind the 2024 Nobel Prize in chemistry

  2025cites this paper
• Enhanced Thermal Stability/Activity of Geobacillus jurassicus Esterase by Rational Design and Application in the Synthesis of Cinnamyl Acetate

  2025cites this paper
• Salmonella Typhi serine threonine kinase T4519 induces lysosomal membrane permeabilization by manipulating Toll-like receptor 2-Cystatin B-Cathepsin B-NF-κB-reactive oxygen species pathway and promotes survival within human macrophages

  2025cites this paper
• An integrated study on the interactions of Lactobacillus brevis components with deoxynivalenol and zearalenone

  2025cites this paper
• Investigating the neuroprotective effects of strawberry extract against diesel soot-induced motor dysfunction in Drosophila: an in-vivo and in-silico study

  2025cites this paper
• [Nobel Prize in chemistry 2024: David Baker, Demis Hassabis et John M. Jumper. The revolution of artificial intelligence in structural biology].

  2025cites this paper
• Deciphering the Olfactory Mechanisms of Sitotroga cerealella Olivier (Lepidoptera: Gelechiidae): Insights from Transcriptome Analysis and Molecular Docking

  2025cites this paper
• Identification of Bacterial Oligopeptidase B Inhibitors from Microbial Natural Products: Molecular Insights, Docking Studies, MD Simulations, and ADMET Predictions

  2025cites this paper
• A computational study on effect of Cymbopogon citratu and Juniperus virginiana against Spodoptera litura

  2025cites this paper
• Multidimensional computational strategies enhance the thermostability of alpha-galactosidase.

  2025cites this paper
• In silico exploration of nitrogenase in Ensifer fredii unraveling structural homology functional and phylogenetic relationships and molecular dynamics

  2025cites this paper
• Low-Intensity Direct Current Electric Field-Induced Structural and Functional Modulation of Key Denitrifying Enzyme: In Vitro Experimental and Molecular Dynamics Simulation Insights

  2025cites this paper
• In silico identification and characterization of potential allergenic proteins from Vigna mungo (blackgram)

  2025cites this paper
• Computational Design of New 3‐Phenoxy β‐Lactams as Tubulin Polymerization Inhibitors for Breast Cancer Therapy

  2025cites this paper
• In evolution’s unending race: ancestral STING sensors in Salmo salar mediate intracellular bacterial detection and programmed cell death through evolutionarily conserved pathways

  2025cites this paper
• Insecticidal potential of five medicinal plants: An In Vitro evaluation and molecular docking analysis of Artemisia absinthium

  2025influential citation
• Deciphering Surfactants Modulation of PersiLipase1-p-NPL Interaction via MD simulations

  2025cites this paper
• BAGEL: Protein engineering via exploration of an energy landscape

  2025cites this paper
• Design a multi-epitope vaccine candidate against Acinetobacter baumannii using advanced computational methods

  2025cites this paper
• Designing a multi-epitope vaccine candidate against human rhinovirus C utilizing immunoinformatics approach

  2025cites this paper
• DNMT1 inhibition by synergistic application of curcumin and 5-AZA-2′-deoxycytidine implicates enhanced therapeutic potential against lung adenocarcinoma

  2025cites this paper
• Evidence for human kisspeptin receptor homo-oligomerization and its functional relevance.

  2025cites this paper
• Chemosensory Receptors in Vertebrates: Structure and Computational Modeling Insights

  2025cites this paper
• New insights on Drug's design against candidiasis on the fructose biphosphate aldolase (Fba1) and the pyruvate kinase (Pk) of Candida glabrata

  2025cites this paper
• Homology modeling, molecular docking and MD simulations study of 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline derivatives as sigma-2 receptor ligands

  2025cites this paper