{"id":"https://openalex.org/W2060134699","doi":"https://doi.org/10.1021/ci400459w","title":"MetalS<sup>2</sup>: A Tool for the Structural Alignment of Minimal Functional Sites in Metal-Binding Proteins and Nucleic Acids","display_name":"MetalS<sup>2</sup>: A Tool for the Structural Alignment of Minimal Functional Sites in Metal-Binding Proteins and Nucleic Acids","publication_year":2013,"publication_date":"2013-10-11","ids":{"openalex":"https://openalex.org/W2060134699","doi":"https://doi.org/10.1021/ci400459w","mag":"2060134699","pmid":"https://pubmed.ncbi.nlm.nih.gov/24117467"},"language":"en","primary_location":{"id":"doi:10.1021/ci400459w","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci400459w","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://zenodo.org/record/3424181","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5079457434","display_name":"Claudia Andreini","orcid":"https://orcid.org/0000-0003-4329-8225"},"institutions":[{"id":"https://openalex.org/I4210144939","display_name":"Interuniversity Consortium for Magnetic Resonance","ror":"https://ror.org/04v403p80","country_code":"IT","type":"education","lineage":["https://openalex.org/I4210144939"]},{"id":"https://openalex.org/I45084792","display_name":"University of Florence","ror":"https://ror.org/04jr1s763","country_code":"IT","type":"education","lineage":["https://openalex.org/I45084792"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"Claudia Andreini","raw_affiliation_strings":["Department of Chemistry \u2212 University of Florence, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy","Magnetic Resonance Center (CERM) \u2212 University of Florence, Via L. Sacconi 6, 50019 Sesto Fiorentino, Florence, Italy","Magnetic Resonance Center (CERM), University of Florence, Via L. Sacconi 6, 50019, Sesto Fiorentino, Florence, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry \u2212 University of Florence, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy","institution_ids":["https://openalex.org/I45084792"]},{"raw_affiliation_string":"Magnetic Resonance Center (CERM) \u2212 University of Florence, Via L. Sacconi 6, 50019 Sesto Fiorentino, Florence, Italy","institution_ids":["https://openalex.org/I4210144939","https://openalex.org/I45084792"]},{"raw_affiliation_string":"Magnetic Resonance Center (CERM), University of Florence, Via L. Sacconi 6, 50019, Sesto Fiorentino, Florence, Italy","institution_ids":["https://openalex.org/I4210144939","https://openalex.org/I45084792"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5058680339","display_name":"Gabriele Cavallaro","orcid":"https://orcid.org/0000-0002-3239-9904"},"institutions":[{"id":"https://openalex.org/I4210144939","display_name":"Interuniversity Consortium for Magnetic Resonance","ror":"https://ror.org/04v403p80","country_code":"IT","type":"education","lineage":["https://openalex.org/I4210144939"]},{"id":"https://openalex.org/I45084792","display_name":"University of Florence","ror":"https://ror.org/04jr1s763","country_code":"IT","type":"education","lineage":["https://openalex.org/I45084792"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Gabriele Cavallaro","raw_affiliation_strings":["Magnetic Resonance Center (CERM) \u2212 University of Florence, Via L. Sacconi 6, 50019 Sesto Fiorentino, Florence, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Magnetic Resonance Center (CERM) \u2212 University of Florence, Via L. Sacconi 6, 50019 Sesto Fiorentino, Florence, Italy","institution_ids":["https://openalex.org/I4210144939","https://openalex.org/I45084792"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5084306542","display_name":"Antonio Rosato","orcid":"https://orcid.org/0000-0001-6172-0368"},"institutions":[{"id":"https://openalex.org/I4210144939","display_name":"Interuniversity Consortium for Magnetic Resonance","ror":"https://ror.org/04v403p80","country_code":"IT","type":"education","lineage":["https://openalex.org/I4210144939"]},{"id":"https://openalex.org/I45084792","display_name":"University of Florence","ror":"https://ror.org/04jr1s763","country_code":"IT","type":"education","lineage":["https://openalex.org/I45084792"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Antonio Rosato","raw_affiliation_strings":["Department of Chemistry \u2212 University of Florence, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy","Magnetic Resonance Center (CERM) \u2212 University of Florence, Via L. Sacconi 6, 50019 Sesto Fiorentino, Florence, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry \u2212 University of Florence, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy","institution_ids":["https://openalex.org/I45084792"]},{"raw_affiliation_string":"Magnetic Resonance Center (CERM) \u2212 University of Florence, Via L. Sacconi 6, 50019 Sesto Fiorentino, Florence, Italy","institution_ids":["https://openalex.org/I4210144939","https://openalex.org/I45084792"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5108116176","display_name":"Yana Valasatava","orcid":null},"institutions":[{"id":"https://openalex.org/I4210144939","display_name":"Interuniversity Consortium for Magnetic Resonance","ror":"https://ror.org/04v403p80","country_code":"IT","type":"education","lineage":["https://openalex.org/I4210144939"]},{"id":"https://openalex.org/I45084792","display_name":"University of Florence","ror":"https://ror.org/04jr1s763","country_code":"IT","type":"education","lineage":["https://openalex.org/I45084792"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Yana Valasatava","raw_affiliation_strings":["Magnetic Resonance Center (CERM) \u2212 University of Florence, Via L. Sacconi 6, 50019 Sesto Fiorentino, Florence, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Magnetic Resonance Center (CERM) \u2212 University of Florence, Via L. Sacconi 6, 50019 Sesto Fiorentino, Florence, Italy","institution_ids":["https://openalex.org/I4210144939","https://openalex.org/I45084792"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5079457434"],"corresponding_institution_ids":["https://openalex.org/I4210144939","https://openalex.org/I45084792"],"apc_list":null,"apc_paid":null,"fwci":0.5985,"has_fulltext":false,"cited_by_count":17,"citation_normalized_percentile":{"value":0.68856066,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":98},"biblio":{"volume":"53","issue":"11","first_page":"3064","last_page":"3075"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10521","display_name":"RNA and protein synthesis mechanisms","score":0.9991999864578247,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10521","display_name":"RNA and protein synthesis mechanisms","score":0.9991999864578247,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9980000257492065,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11162","display_name":"Enzyme Structure and Function","score":0.9980000257492065,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/context","display_name":"Context (archaeology)","score":0.6859465837478638},{"id":"https://openalex.org/keywords/macromolecule","display_name":"Macromolecule","score":0.6575115919113159},{"id":"https://openalex.org/keywords/nucleic-acid","display_name":"Nucleic acid","score":0.49782228469848633},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.49566948413848877},{"id":"https://openalex.org/keywords/metal","display_name":"Metal","score":0.4871063232421875},{"id":"https://openalex.org/keywords/structural-bioinformatics","display_name":"Structural bioinformatics","score":0.4554230570793152},{"id":"https://openalex.org/keywords/crystallography","display_name":"Crystallography","score":0.3691680431365967},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.36458489298820496},{"id":"https://openalex.org/keywords/protein-structure","display_name":"Protein structure","score":0.3441495895385742},{"id":"https://openalex.org/keywords/nanotechnology","display_name":"Nanotechnology","score":0.3279106020927429},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.2319975197315216},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.2257668375968933},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.22142678499221802}],"concepts":[{"id":"https://openalex.org/C2779343474","wikidata":"https://www.wikidata.org/wiki/Q3109175","display_name":"Context (archaeology)","level":2,"score":0.6859465837478638},{"id":"https://openalex.org/C204389451","wikidata":"https://www.wikidata.org/wiki/Q178593","display_name":"Macromolecule","level":2,"score":0.6575115919113159},{"id":"https://openalex.org/C24107716","wikidata":"https://www.wikidata.org/wiki/Q123619","display_name":"Nucleic acid","level":2,"score":0.49782228469848633},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.49566948413848877},{"id":"https://openalex.org/C544153396","wikidata":"https://www.wikidata.org/wiki/Q11426","display_name":"Metal","level":2,"score":0.4871063232421875},{"id":"https://openalex.org/C69131567","wikidata":"https://www.wikidata.org/wiki/Q2068215","display_name":"Structural bioinformatics","level":3,"score":0.4554230570793152},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.3691680431365967},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.36458489298820496},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.3441495895385742},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.3279106020927429},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2319975197315216},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.2257668375968933},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.22142678499221802},{"id":"https://openalex.org/C151730666","wikidata":"https://www.wikidata.org/wiki/Q7205","display_name":"Paleontology","level":1,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002352","descriptor_name":"Carrier Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002352","descriptor_name":"Carrier Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002352","descriptor_name":"Carrier Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008670","descriptor_name":"Metals","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008670","descriptor_name":"Metals","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008670","descriptor_name":"Metals","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009696","descriptor_name":"Nucleic Acids","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D009696","descriptor_name":"Nucleic Acids","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D009696","descriptor_name":"Nucleic Acids","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D030561","descriptor_name":"Databases, Nucleic Acid","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030561","descriptor_name":"Databases, Nucleic Acid","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030561","descriptor_name":"Databases, Nucleic Acid","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D040681","descriptor_name":"Structural Homology, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D040681","descriptor_name":"Structural Homology, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D040681","descriptor_name":"Structural Homology, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1021/ci400459w","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci400459w","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:24117467","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/24117467","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of chemical information and modeling","raw_type":null},{"id":"pmh:oai:flore.unifi.it:2158/841097","is_oa":false,"landing_page_url":"http://hdl.handle.net/2158/841097","pdf_url":null,"source":{"id":"https://openalex.org/S4306402033","display_name":"Florence Research (University of Florence)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I45084792","host_organization_name":"University of Florence","host_organization_lineage":["https://openalex.org/I45084792"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:zenodo.org:3424181","is_oa":true,"landing_page_url":"https://zenodo.org/record/3424181","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"pmh:oai:zenodo.org:3424181","is_oa":true,"landing_page_url":"https://zenodo.org/record/3424181","pdf_url":null,"source":{"id":"https://openalex.org/S4306400562","display_name":"Zenodo (CERN European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"info:eu-repo/semantics/article"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":44,"referenced_works":["https://openalex.org/W615683476","https://openalex.org/W1964635284","https://openalex.org/W1968441537","https://openalex.org/W1994002004","https://openalex.org/W1994035189","https://openalex.org/W1995752075","https://openalex.org/W2017727500","https://openalex.org/W2024843360","https://openalex.org/W2027902388","https://openalex.org/W2031901496","https://openalex.org/W2039122688","https://openalex.org/W2041417685","https://openalex.org/W2060408358","https://openalex.org/W2064186839","https://openalex.org/W2066662117","https://openalex.org/W2073798474","https://openalex.org/W2079666836","https://openalex.org/W2081771568","https://openalex.org/W2083854179","https://openalex.org/W2087906429","https://openalex.org/W2099207146","https://openalex.org/W2101335101","https://openalex.org/W2101337181","https://openalex.org/W2102015425","https://openalex.org/W2102245393","https://openalex.org/W2106154817","https://openalex.org/W2114520383","https://openalex.org/W2125062378","https://openalex.org/W2125696348","https://openalex.org/W2125898812","https://openalex.org/W2126016150","https://openalex.org/W2127565562","https://openalex.org/W2128653811","https://openalex.org/W2133715954","https://openalex.org/W2138770756","https://openalex.org/W2148101168","https://openalex.org/W2152326664","https://openalex.org/W2153026148","https://openalex.org/W2160140570","https://openalex.org/W2166159407","https://openalex.org/W2170441710","https://openalex.org/W2171112077","https://openalex.org/W3084824310","https://openalex.org/W4388245583"],"related_works":["https://openalex.org/W2607853144","https://openalex.org/W4383473016","https://openalex.org/W1989756167","https://openalex.org/W853003716","https://openalex.org/W1020920971","https://openalex.org/W57576636","https://openalex.org/W2084743099","https://openalex.org/W2014499409","https://openalex.org/W2039737743","https://openalex.org/W2557251634"],"abstract_inverted_index":{"We":[0],"developed":[1],"a":[2,45,90,115,119],"new":[3],"software":[4],"tool,":[5],"MetalS(2),":[6],"for":[7,78],"the":[8,26,30,34,38,50,54,59,63,99],"structural":[9,73],"alignment":[10],"of":[11,33,37,53,62,93,101],"Minimal":[12],"Functional":[13],"Sites":[14],"(MFSs)":[15],"in":[16,48],"metal-binding":[17],"biological":[18],"macromolecules.":[19],"MFSs":[20,102],"are":[21],"3D":[22],"templates":[23],"that":[24,75],"describe":[25],"local":[27,42],"environment":[28,43],"around":[29],"metal(s)":[31],"independently":[32],"larger":[35,91],"context":[36],"macromolecular":[39],"structure.":[40],"Such":[41],"has":[44],"determinant":[46],"role":[47],"tuning":[49],"chemical":[51],"reactivity":[52],"metal,":[55],"ultimately":[56],"contributing":[57],"to":[58],"functional":[60],"properties":[61],"whole":[64],"system.":[65],"On":[66],"our":[67],"example":[68],"data":[69],"sets,":[70],"MetalS(2)":[71,97],"unveiled":[72],"similarities":[74],"other":[76],"programs":[77],"protein":[79],"structure":[80],"comparison":[81,100],"do":[82],"not":[83],"consistently":[84],"point":[85],"out":[86],"and":[87,110,118],"overall":[88],"identified":[89],"number":[92],"structurally":[94],"similar":[95],"MFSs.":[96],"supports":[98],"harboring":[103],"different":[104,108],"metals":[105],"and/or":[106],"with":[107],"nuclearity":[109],"is":[111],"available":[112],"both":[113],"as":[114],"stand-alone":[116],"program":[117],"Web":[120],"tool":[121],"(":[122],"http://metalweb.cerm.unifi.it/tools/metals2/).":[123]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":5},{"year":2021,"cited_by_count":2},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":3},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":1}],"updated_date":"2026-06-15T08:34:33.830935","created_date":"2016-06-24T00:00:00"}