{"id":"https://openalex.org/W3030913365","doi":"https://doi.org/10.1186/s13321-020-00437-4","title":"Aromatic clusters in protein\u2013protein and protein\u2013drug complexes","display_name":"Aromatic clusters in protein\u2013protein and protein\u2013drug complexes","publication_year":2020,"publication_date":"2020-05-08","ids":{"openalex":"https://openalex.org/W3030913365","doi":"https://doi.org/10.1186/s13321-020-00437-4","mag":"3030913365","pmid":"https://pubmed.ncbi.nlm.nih.gov/33431014"},"language":"en","primary_location":{"id":"doi:10.1186/s13321-020-00437-4","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-020-00437-4","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-020-00437-4","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-020-00437-4","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5060622294","display_name":"Esteban Lanzarotti","orcid":null},"institutions":[{"id":"https://openalex.org/I24354313","display_name":"Universidad de Buenos Aires","ror":"https://ror.org/0081fs513","country_code":"AR","type":"education","lineage":["https://openalex.org/I24354313"]},{"id":"https://openalex.org/I53241121","display_name":"Fundaci\u00f3n Ciencias Exactas y Naturales","ror":"https://ror.org/05rxmkq09","country_code":"AR","type":"nonprofit","lineage":["https://openalex.org/I53241121"]}],"countries":["AR"],"is_corresponding":false,"raw_author_name":"Esteban Lanzarotti","raw_affiliation_strings":["Departamento de Computaci\u00f3n, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Departamento de Computaci\u00f3n, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina","institution_ids":["https://openalex.org/I24354313","https://openalex.org/I53241121"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5081101274","display_name":"Lucas A. Defelipe","orcid":"https://orcid.org/0000-0001-7859-7300"},"institutions":[{"id":"https://openalex.org/I151201029","display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas","ror":"https://ror.org/03cqe8w59","country_code":"AR","type":"government","lineage":["https://openalex.org/I151201029","https://openalex.org/I4210123736","https://openalex.org/I4387155568"]},{"id":"https://openalex.org/I24354313","display_name":"Universidad de Buenos Aires","ror":"https://ror.org/0081fs513","country_code":"AR","type":"education","lineage":["https://openalex.org/I24354313"]},{"id":"https://openalex.org/I4210138560","display_name":"European Molecular Biology Laboratory","ror":"https://ror.org/03mstc592","country_code":"DE","type":"government","lineage":["https://openalex.org/I4210138560"]},{"id":"https://openalex.org/I53241121","display_name":"Fundaci\u00f3n Ciencias Exactas y Naturales","ror":"https://ror.org/05rxmkq09","country_code":"AR","type":"nonprofit","lineage":["https://openalex.org/I53241121"]}],"countries":["AR","DE"],"is_corresponding":false,"raw_author_name":"Lucas A. Defelipe","raw_affiliation_strings":["Departamento de Qu\u00edmica Biol\u00f3gica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina","European Molecular Biology Laboratory Hamburg, Notkestra\u00dfe 85, 22607, Hamburg, Germany","IQUIBICEN/UBA-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Departamento de Qu\u00edmica Biol\u00f3gica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina","institution_ids":["https://openalex.org/I24354313","https://openalex.org/I53241121"]},{"raw_affiliation_string":"European Molecular Biology Laboratory Hamburg, Notkestra\u00dfe 85, 22607, Hamburg, Germany","institution_ids":["https://openalex.org/I4210138560"]},{"raw_affiliation_string":"IQUIBICEN/UBA-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina","institution_ids":["https://openalex.org/I151201029","https://openalex.org/I24354313","https://openalex.org/I53241121"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5089022257","display_name":"Marcelo A. Mart\u00ed","orcid":"https://orcid.org/0000-0002-7911-9340"},"institutions":[{"id":"https://openalex.org/I151201029","display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas","ror":"https://ror.org/03cqe8w59","country_code":"AR","type":"government","lineage":["https://openalex.org/I151201029","https://openalex.org/I4210123736","https://openalex.org/I4387155568"]},{"id":"https://openalex.org/I24354313","display_name":"Universidad de Buenos Aires","ror":"https://ror.org/0081fs513","country_code":"AR","type":"education","lineage":["https://openalex.org/I24354313"]},{"id":"https://openalex.org/I53241121","display_name":"Fundaci\u00f3n Ciencias Exactas y Naturales","ror":"https://ror.org/05rxmkq09","country_code":"AR","type":"nonprofit","lineage":["https://openalex.org/I53241121"]}],"countries":["AR"],"is_corresponding":false,"raw_author_name":"Marcelo A. Marti","raw_affiliation_strings":["Departamento de Qu\u00edmica Biol\u00f3gica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina","IQUIBICEN/UBA-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Departamento de Qu\u00edmica Biol\u00f3gica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina","institution_ids":["https://openalex.org/I24354313","https://openalex.org/I53241121"]},{"raw_affiliation_string":"IQUIBICEN/UBA-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina","institution_ids":["https://openalex.org/I151201029","https://openalex.org/I24354313","https://openalex.org/I53241121"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5035789659","display_name":"Adri\u00e1n G. Turjanski","orcid":"https://orcid.org/0000-0003-2190-137X"},"institutions":[{"id":"https://openalex.org/I151201029","display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas","ror":"https://ror.org/03cqe8w59","country_code":"AR","type":"government","lineage":["https://openalex.org/I151201029","https://openalex.org/I4210123736","https://openalex.org/I4387155568"]},{"id":"https://openalex.org/I24354313","display_name":"Universidad de Buenos Aires","ror":"https://ror.org/0081fs513","country_code":"AR","type":"education","lineage":["https://openalex.org/I24354313"]},{"id":"https://openalex.org/I53241121","display_name":"Fundaci\u00f3n Ciencias Exactas y Naturales","ror":"https://ror.org/05rxmkq09","country_code":"AR","type":"nonprofit","lineage":["https://openalex.org/I53241121"]}],"countries":["AR"],"is_corresponding":true,"raw_author_name":"Adri\u00e1n G. Turjanski","raw_affiliation_strings":["Departamento de Qu\u00edmica Biol\u00f3gica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina. adrian@qb.fcen.uba.ar","IQUIBICEN/UBA-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina. adrian@qb.fcen.uba.ar","Departamento de Qu\u00edmica Biol\u00f3gica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina","IQUIBICEN/UBA-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina"],"raw_orcid":"https://orcid.org/0000-0003-2190-137X","affiliations":[{"raw_affiliation_string":"Departamento de Qu\u00edmica Biol\u00f3gica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina. adrian@qb.fcen.uba.ar","institution_ids":["https://openalex.org/I53241121"]},{"raw_affiliation_string":"IQUIBICEN/UBA-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina. adrian@qb.fcen.uba.ar","institution_ids":["https://openalex.org/I53241121"]},{"raw_affiliation_string":"Departamento de Qu\u00edmica Biol\u00f3gica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina","institution_ids":["https://openalex.org/I24354313","https://openalex.org/I53241121"]},{"raw_affiliation_string":"IQUIBICEN/UBA-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina","institution_ids":["https://openalex.org/I151201029","https://openalex.org/I24354313","https://openalex.org/I53241121"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5035789659"],"corresponding_institution_ids":["https://openalex.org/I151201029","https://openalex.org/I24354313","https://openalex.org/I53241121"],"apc_list":{"value":2190,"currency":"USD","value_usd":2190},"apc_paid":{"value":2190,"currency":"USD","value_usd":2190},"fwci":3.2791,"has_fulltext":true,"cited_by_count":92,"citation_normalized_percentile":{"value":0.93553327,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":98,"max":100},"biblio":{"volume":"12","issue":"1","first_page":"30","last_page":"30"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9993000030517578,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9993000030517578,"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":0.9969000220298767,"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"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9941999912261963,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.5310595035552979},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.482783704996109},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.44105294346809387},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.38827845454216003},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.3487757444381714},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.24051320552825928},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.2103712558746338},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.1831396520137787}],"concepts":[{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.5310595035552979},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.482783704996109},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.44105294346809387},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.38827845454216003},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.3487757444381714},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.24051320552825928},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.2103712558746338},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.1831396520137787}],"mesh":[],"locations_count":5,"locations":[{"id":"doi:10.1186/s13321-020-00437-4","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-020-00437-4","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-020-00437-4","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},{"id":"pmid:33431014","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/33431014","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 cheminformatics","raw_type":null},{"id":"pmh:oai:ri.conicet.gov.ar:11336/143936","is_oa":true,"landing_page_url":"http://hdl.handle.net/11336/143936","pdf_url":"http://hdl.handle.net/11336/143936","source":{"id":"https://openalex.org/S4306402455","display_name":"CONICET Digital (CONICET)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210148385","host_organization_name":"Biomedicine Research Institute of Buenos Aires - CONICET - Partner Institute of the Max Planck Society","host_organization_lineage":["https://openalex.org/I4210148385"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:pubmedcentral.nih.gov:7206889","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/7206889","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Cheminform","raw_type":"Text"},{"id":"pmh:oai:doaj.org/article:fb2b15e24f224a9cbdeeb2673aace6f5","is_oa":true,"landing_page_url":"https://doaj.org/article/fb2b15e24f224a9cbdeeb2673aace6f5","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Cheminformatics, Vol 12, Iss 1, Pp 1-9 (2020)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1186/s13321-020-00437-4","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-020-00437-4","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-020-00437-4","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G2158387732","display_name":null,"funder_award_id":"2015\u20102017","funder_id":"https://openalex.org/F4320321594","funder_display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas"},{"id":"https://openalex.org/G2439265903","display_name":null,"funder_award_id":"CONICET","funder_id":"https://openalex.org/F4320323257","funder_display_name":"Universidad de Buenos Aires"},{"id":"https://openalex.org/G3249763516","display_name":null,"funder_award_id":"112201","funder_id":"https://openalex.org/F4320321594","funder_display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas"},{"id":"https://openalex.org/G3515402430","display_name":null,"funder_award_id":"PICT-2015-2276","funder_id":"https://openalex.org/F4320337954","funder_display_name":"Fondo para la Investigaci\u00f3n Cient\u00edfica y Tecnol\u00f3gica"},{"id":"https://openalex.org/G3840859012","display_name":"Desarrollo de herramientas de simulaci\u00f3n computacional en biomol\u00e9culas y aplicaci\u00f3n a fen\u00f3menos de alosterismo, reactividad qu\u00edmica y transferencia electr\u00f3nica en metaloprote\u00ednas","funder_award_id":"11220150100303CO","funder_id":"https://openalex.org/F4320321594","funder_display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas"},{"id":"https://openalex.org/G4696623542","display_name":null,"funder_award_id":"PIP-2015","funder_id":"https://openalex.org/F4320321594","funder_display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas"},{"id":"https://openalex.org/G627779561","display_name":null,"funder_award_id":"PIP-2015-2017","funder_id":"https://openalex.org/F4320321594","funder_display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas"},{"id":"https://openalex.org/G6893816180","display_name":null,"funder_award_id":"UBACYT 2015 20020150100023BA","funder_id":"https://openalex.org/F4320335237","funder_display_name":"Secretaria de Ciencia y Tecnica, Universidad de Buenos Aires"},{"id":"https://openalex.org/G7990198711","display_name":"EMBL Interdisciplinary, International and Intersectorial Postdocs","funder_award_id":"664726","funder_id":"https://openalex.org/F4320338337","funder_display_name":"H2020 Marie Sk\u0142odowska-Curie Actions"},{"id":"https://openalex.org/G8858961757","display_name":null,"funder_award_id":"20020150100023BA","funder_id":"https://openalex.org/F4320323257","funder_display_name":"Universidad de Buenos Aires"}],"funders":[{"id":"https://openalex.org/F4320321594","display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas","ror":"https://ror.org/03cqe8w59"},{"id":"https://openalex.org/F4320323257","display_name":"Universidad de Buenos Aires","ror":"https://ror.org/0081fs513"},{"id":"https://openalex.org/F4320335237","display_name":"Secretaria de Ciencia y Tecnica, Universidad de Buenos Aires","ror":"https://ror.org/0081fs513"},{"id":"https://openalex.org/F4320335478","display_name":"Secretar\u00eda de Ciencia y T\u00e9cnica, Universidad de Buenos Aires","ror":null},{"id":"https://openalex.org/F4320337954","display_name":"Fondo para la Investigaci\u00f3n Cient\u00edfica y Tecnol\u00f3gica","ror":"https://ror.org/03stxzb56"},{"id":"https://openalex.org/F4320338337","display_name":"H2020 Marie Sk\u0142odowska-Curie Actions","ror":null}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W3030913365.pdf","grobid_xml":"https://content.openalex.org/works/W3030913365.grobid-xml"},"referenced_works_count":34,"referenced_works":["https://openalex.org/W1980337077","https://openalex.org/W1994341799","https://openalex.org/W1998063251","https://openalex.org/W2007701663","https://openalex.org/W2008708467","https://openalex.org/W2026370952","https://openalex.org/W2026395206","https://openalex.org/W2027773741","https://openalex.org/W2029040745","https://openalex.org/W2029667189","https://openalex.org/W2051710717","https://openalex.org/W2056634688","https://openalex.org/W2057267661","https://openalex.org/W2069677863","https://openalex.org/W2075770210","https://openalex.org/W2096864392","https://openalex.org/W2103956185","https://openalex.org/W2106060578","https://openalex.org/W2117569373","https://openalex.org/W2138380905","https://openalex.org/W2141885858","https://openalex.org/W2156125289","https://openalex.org/W2160690759","https://openalex.org/W2169303530","https://openalex.org/W2169678694","https://openalex.org/W2170048458","https://openalex.org/W2310460235","https://openalex.org/W2329592726","https://openalex.org/W2399539756","https://openalex.org/W2462945209","https://openalex.org/W2612329522","https://openalex.org/W2766509651","https://openalex.org/W2791454012","https://openalex.org/W4210400672"],"related_works":["https://openalex.org/W4387497383","https://openalex.org/W2948807893","https://openalex.org/W2899084033","https://openalex.org/W2778153218","https://openalex.org/W2748952813","https://openalex.org/W1531601525","https://openalex.org/W4391375266","https://openalex.org/W2078814861","https://openalex.org/W2527526854","https://openalex.org/W1976181487"],"abstract_inverted_index":{"Aromatic":[0],"rings":[1],"are":[2,22,53,118],"important":[3],"residues":[4,162],"for":[5,24],"biological":[6],"interactions":[7],"and":[8,18,28,43,61,77,98,101,106,124,127,157,174],"appear":[9],"to":[10,33,55,57,145,179],"a":[11,90],"large":[12],"extent":[13],"as":[14,45,47,143],"part":[15],"of":[16,63,72,108,160],"protein-drug":[17,78,97,125,146,164],"protein-protein":[19,76,99,123,130],"interactions.":[20],"They":[21],"relevant":[23],"both":[25,59,122],"protein":[26],"stability":[27],"molecular":[29],"recognition":[30],"processes":[31],"due":[32],"their":[34,109],"natural":[35],"occurrence":[36],"in":[37,48,85,121,163],"aromatic":[38,73,110,116,131,161],"aminoacids":[39],"(Trp,":[40],"Phe,":[41],"Tyr":[42],"His)":[44],"well":[46],"designed":[49],"drugs":[50],"since":[51],"they":[52,138],"believed":[54],"contribute":[56],"optimizing":[58],"affinity":[60],"specificity":[62],"drug-like":[64],"molecules.":[65,183],"Despite":[66],"the":[67,70,104,153,169],"mentioned":[68],"relevance,":[69],"impact":[71],"clusters":[74,117,132,147],"on":[75,168],"complexes":[79,100,165],"is":[80],"still":[81],"poorly":[82],"characterized,":[83],"especially":[84],"those":[86],"that":[87,115,129,148],"go":[88],"beyond":[89],"dimer.":[91],"In":[92],"this":[93],"work,":[94],"we":[95],"studied":[96],"systematically":[102],"analyzed":[103],"presence":[105],"structure":[107,159],"clusters.":[111],"Our":[112],"results":[113],"show":[114],"highly":[119],"prevalent":[120],"complexes,":[126],"suggest":[128],"have":[133],"idealized":[134],"interactions,":[135],"probably":[136],"because":[137],"were":[139,149],"optimized":[140],"by":[141],"evolution,":[142],"compared":[144],"manually":[150],"designed.":[151],"Interestingly,":[152],"configuration,":[154],"solvent":[155],"accessibility":[156],"secondary":[158],"shed":[166],"light":[167],"relation":[170],"between":[171],"these":[172],"properties":[173],"compound":[175],"affinity,":[176],"allowing":[177],"researchers":[178],"better":[180],"design":[181],"new":[182]},"counts_by_year":[{"year":2026,"cited_by_count":8},{"year":2025,"cited_by_count":24},{"year":2024,"cited_by_count":16},{"year":2023,"cited_by_count":20},{"year":2022,"cited_by_count":16},{"year":2021,"cited_by_count":8}],"updated_date":"2026-08-11T07:18:39.950985","created_date":"2025-10-10T00:00:00"}
