{"doi":"10.1002/ijch.201200078","title":"From Protein Structure to Function via Computational Tools and Approaches","abstract":"<jats:title>Abstract</jats:title><jats:p>The three‐dimensional structures of proteins are often considered fundamental for understanding their function. Yet, because of the complexity of protein structure, extracting specific functional information from structures can be a considerable challenge. Here, we present selected approaches and tools that we have developed to study and connect protein sequence, structure, and function spaces. First, we consider a <jats:italic>global</jats:italic> perspective of structure space and view the protein data bank (PDB) as a database. We highlight challenges in searching protein structure space and in using the PDB as the starting point for computational structural studies. Then we describe a <jats:italic>function‐oriented</jats:italic> view and show examples of how multiple protein structures can be used to extract insights about the function and specificity of proteins at the family level.</jats:p>","journal":"Israel Journal of Chemistry","year":2013,"id":14939,"datarank":0.3618359752844918,"base_score":1.791759469228055,"endowment":1.791759469228055,"self_citation_contribution":0.26876392038420827,"citation_network_contribution":0.09307205490028353,"self_endowment_contribution":0.26876392038420827,"citer_contribution":0.09307205490028353,"corpus_percentile":null,"corpus_rank":null,"citation_count":5,"citer_count":5,"citers_with_citation_signal":3,"citers_with_endowment":3,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":null,"is_data_producer":false,"deposit_databanks":null,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":null,"fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":115877,"name":"Mickey Kosloff","orcid":null,"position":1,"is_corresponding":false},{"id":115876,"name":"Rachel Kolodny","orcid":null,"position":0,"is_corresponding":false}],"reference_count":0,"raw_metadata":{"has_enrichment":true,"base_score":1.791759469228055,"endowment":1.791759469228055,"datacite_reuse_total":0,"file_count":0,"downloads":0,"views":0,"has_version_chain":false,"is_dataset":false,"is_oa":false,"pmid":"21071399","pmcid":null,"openalex_id":"https://openalex.org/W2000589311","authors":[],"funders":[],"total_grants":0,"fwci":0.2991,"citation_percentile":0.61222989,"influential_citations":0,"citation_trend":[{"year":2014,"count":1},{"year":2015,"count":1},{"year":2021,"count":1},{"year":2026,"count":2}],"oa_status":"closed","license":"http://onlinelibrary.wiley.com/termsAndConditions#vor","oa_locations":[{"url":"https://api.wiley.com/onlinelibrary/tdm/v1/articles/10.1002%2Fijch.201200078","host_type":"publisher"},{"url":"https://onlinelibrary.wiley.com/doi/pdf/10.1002/ijch.201200078","host_type":"publisher"},{"url":"https://doi.org/10.1002/ijch.201200078","host_type":"journal"}],"fields_of_study":["Protein Structure and Dynamics","Bioinformatics and Genomic Networks","Chemistry","Computer Science","Biology"],"mesh_terms":[],"keywords":["Protein Data Bank (RCSB PDB)","Protein Data Bank","Protein structure database","Chemistry","Function (biology)","Computational biology","Protein structure","Protein function","Protein structure prediction","Sequence (biology)","Space (punctuation)","Theoretical computer science","Computer science","Biochemistry","Cell biology"],"sdg_mappings":[],"linked_datasets":[],"clinical_trials":[],"software_tools":[],"database_accessions":[],"source":"live","citation_network_status":"fetched"},"created_at":"2026-06-01T15:39:30.161861Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}