{"doi":"10.1016/j.drudis.2010.05.015","title":"Druggable pockets and binding site centric chemical space: a paradigm shift in drug discovery","abstract":null,"journal":"Drug Discovery Today","year":2010,"id":603573,"datarank":0.8436026259281009,"base_score":5.6240175061873385,"endowment":5.6240175061873385,"self_citation_contribution":0.8436026259281009,"citation_network_contribution":0.0,"self_endowment_contribution":0.8436026259281009,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":276,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"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":1548334,"name":"Olivier Sperandio","orcid":null,"position":1,"is_corresponding":false},{"id":329040,"name":"Maria A. Miteva","orcid":"0000-0001-6895-1214","position":2,"is_corresponding":false},{"id":1548335,"name":"Anne-Claude Camproux","orcid":"0000-0001-8821-9952","position":3,"is_corresponding":false},{"id":329041,"name":"Bruno O. Villoutreix","orcid":"0000-0002-6456-7730","position":4,"is_corresponding":false},{"id":1548332,"name":"Stéphanie Pérot","orcid":null,"position":0,"is_corresponding":false}],"reference_count":0,"raw_metadata":{"has_enrichment":true,"resolved":true,"title":"Druggable pockets and binding site centric chemical space: a paradigm shift in drug discovery","abstract":"Detection, comparison and analyses of binding pockets are pivotal to structure-based drug design endeavors, from hit identification, screening of exosites and de-orphanization of protein functions to the anticipation of specific and non-specific binding to off- and anti-targets. Here, we analyze protein-ligand complexes and discuss methods that assist binding site identification, prediction of druggability and binding site comparison. The full potential of pockets is yet to be harnessed, and we envision that better understanding of the pocket space will have far-reaching implications in the field of drug discovery, such as the design of pocket-specific compound libraries and scoring functions.","is_dataset_classified":null,"base_score":5.6240175061873385,"endowment":5.6240175061873385,"datacite_reuse_total":0,"file_count":0,"downloads":0,"views":0,"has_version_chain":false,"is_dataset":false,"is_oa":false,"pmid":"20685398","pmcid":null,"openalex_id":"https://openalex.org/W1979414133","authors":[],"funders":[],"total_grants":0,"fwci":26.083,"citation_percentile":0.99802418,"influential_citations":0,"citation_trend":[{"year":2012,"count":29},{"year":2013,"count":29},{"year":2014,"count":25},{"year":2015,"count":23},{"year":2016,"count":25},{"year":2017,"count":14},{"year":2018,"count":13},{"year":2019,"count":19},{"year":2020,"count":15},{"year":2021,"count":10},{"year":2022,"count":12},{"year":2023,"count":9},{"year":2024,"count":14},{"year":2025,"count":11},{"year":2026,"count":4}],"oa_status":"closed","license":"https://www.elsevier.com/legal/tdmrep-license","oa_locations":[{"url":"https://api.elsevier.com/content/article/PII:S1359644610001911?httpAccept=text/xml","host_type":"publisher"},{"url":"https://api.elsevier.com/content/article/PII:S1359644610001911?httpAccept=text/plain","host_type":"publisher"},{"url":"https://doi.org/10.1016/j.drudis.2010.05.015","host_type":"journal"},{"url":"https://pubmed.ncbi.nlm.nih.gov/20685398","host_type":"repository"}],"fields_of_study":["Computational Drug Discovery Methods","Protein Structure and Dynamics","Chemical Synthesis and Analysis"],"mesh_terms":["Binding Sites","Pharmaceutical Preparations","Ligands","Protein Binding","Drug Design","Drug Delivery Systems","Small Molecule Libraries","Drug Discovery"],"keywords":["Druggability","Drug discovery","Computational biology","Identification (biology)","Chemical space","Binding site","Drug","Computer science","Chemistry","Biology","Bioinformatics","Biochemistry","Pharmacology"],"sdg_mappings":[],"linked_datasets":[],"clinical_trials":[],"software_tools":[],"database_accessions":[],"source":"live","citation_network_status":"fetched"},"created_at":"2026-07-29T22:15:31.691265Z","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":[]}