{"id":"https://openalex.org/W7203661908","doi":"https://doi.org/10.1002/advs.77104","title":"Toward Material\u2010Specific Peptides From in Silico Guided Peptide Engineering to Target PET in the Presence of PS","display_name":"Toward Material\u2010Specific Peptides From in Silico Guided Peptide Engineering to Target PET in the Presence of PS","publication_year":2026,"publication_date":"2026-08-18","ids":{"openalex":"https://openalex.org/W7203661908","doi":"https://doi.org/10.1002/advs.77104","pmid":"https://pubmed.ncbi.nlm.nih.gov/42610506","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/13482935"},"language":"en","primary_location":{"id":"doi:10.1002/advs.77104","doi":"https://doi.org/10.1002/advs.77104","is_oa":true,"landing_page_url":"https://doi.org/10.1002/advs.77104","pdf_url":null,"source":{"id":"https://openalex.org/S2737737698","display_name":"Advanced Science","issn_l":"2198-3844","issn":["2198-3844"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-b","jufo-1","ki-jl-2","medline","norway-1","oarl","poland-200","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Advanced Science","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","datacite","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://doi.org/10.1002/advs.77104","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5058481016","display_name":"Julian Luka","orcid":"https://orcid.org/0009-0003-0087-5018","observed_orcids":["https://orcid.org/0009-0003-0087-5018"]},"institutions":[{"id":"https://openalex.org/I887968799","display_name":"RWTH Aachen University","ror":"https://ror.org/04xfq0f34","country_code":"DE","type":"education","lineage":["https://openalex.org/I887968799"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Julian Luka","raw_affiliation_strings":["Lehrstuhl f\u00fcr Biotechnologie RWTH Aachen University  Aachen Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Lehrstuhl f\u00fcr Biotechnologie RWTH Aachen University  Aachen Germany","institution_ids":["https://openalex.org/I887968799"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5086401629","display_name":"Marian Bienstein","orcid":"https://orcid.org/0000-0002-0687-939X","observed_orcids":["https://orcid.org/0000-0002-0687-939X"]},"institutions":[{"id":"https://openalex.org/I887968799","display_name":"RWTH Aachen University","ror":"https://ror.org/04xfq0f34","country_code":"DE","type":"education","lineage":["https://openalex.org/I887968799"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Marian Bienstein","raw_affiliation_strings":["Lehrstuhl f\u00fcr Biotechnologie RWTH Aachen University  Aachen Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Lehrstuhl f\u00fcr Biotechnologie RWTH Aachen University  Aachen Germany","institution_ids":["https://openalex.org/I887968799"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5159792652","display_name":"Jonas Berger","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I887968799","display_name":"RWTH Aachen University","ror":"https://ror.org/04xfq0f34","country_code":"DE","type":"education","lineage":["https://openalex.org/I887968799"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Jonas Berger","raw_affiliation_strings":["Lehrstuhl f\u00fcr Biotechnologie RWTH Aachen University  Aachen Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Lehrstuhl f\u00fcr Biotechnologie RWTH Aachen University  Aachen Germany","institution_ids":["https://openalex.org/I887968799"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5015972947","display_name":"Ulrich Schwaneberg","orcid":"https://orcid.org/0000-0003-4026-701X","observed_orcids":["https://orcid.org/0000-0003-4026-701X"]},"institutions":[{"id":"https://openalex.org/I4210102767","display_name":"DWI \u2013 Leibniz Institute for Interactive Materials","ror":"https://ror.org/0186h8060","country_code":"DE","type":"facility","lineage":["https://openalex.org/I315704651","https://openalex.org/I4210102767"]},{"id":"https://openalex.org/I887968799","display_name":"RWTH Aachen University","ror":"https://ror.org/04xfq0f34","country_code":"DE","type":"education","lineage":["https://openalex.org/I887968799"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"Ulrich Schwaneberg","raw_affiliation_strings":["DWI\u2010Leibniz Institut f\u00fcr Interaktive Materialien  Aachen Germany","Lehrstuhl f\u00fcr Biotechnologie RWTH Aachen University  Aachen Germany"],"raw_orcid":"https://orcid.org/0000-0003-4026-701X","affiliations":[{"raw_affiliation_string":"DWI\u2010Leibniz Institut f\u00fcr Interaktive Materialien  Aachen Germany","institution_ids":["https://openalex.org/I4210102767"]},{"raw_affiliation_string":"Lehrstuhl f\u00fcr Biotechnologie RWTH Aachen University  Aachen Germany","institution_ids":["https://openalex.org/I887968799"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5015972947"],"corresponding_institution_ids":["https://openalex.org/I4210102767","https://openalex.org/I887968799"],"apc_list":{"value":6730,"currency":"USD","value_usd":6730},"apc_paid":{"value":6730,"currency":"USD","value_usd":6730},"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.4646788,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"e77104","last_page":"e77104"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10661","display_name":"biodegradable polymer synthesis and properties","score":0.3610999882221222,"subfield":{"id":"https://openalex.org/subfields/2502","display_name":"Biomaterials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10661","display_name":"biodegradable polymer synthesis and properties","score":0.3610999882221222,"subfield":{"id":"https://openalex.org/subfields/2502","display_name":"Biomaterials"},"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/T10404","display_name":"Enzyme Catalysis and Immobilization","score":0.17810000479221344,"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":0.10999999940395355,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/polystyrene","display_name":"polystyrene","score":0.7390000224113464},{"id":"https://openalex.org/keywords/polyethylene-terephthalate","display_name":"polyethylene terephthalate","score":0.996999979019165},{"id":"https://openalex.org/keywords/pet-depolymerization","display_name":"PET depolymerization","score":0.7440000176429749},{"id":"https://openalex.org/keywords/mixed-plastic-waste","display_name":"mixed plastic waste","score":0.7509999871253967},{"id":"https://openalex.org/keywords/steered-molecular-dynamics","display_name":"steered molecular dynamics","score":0.6790000200271606},{"id":"https://openalex.org/keywords/binding-free-energy","display_name":"binding free energy","score":0.7519999742507935}],"concepts":[{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.7204999923706055},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6714000105857849},{"id":"https://openalex.org/C49852136","wikidata":"https://www.wikidata.org/wiki/Q906487","display_name":"Depolymerization","level":2,"score":0.640500009059906},{"id":"https://openalex.org/C521977710","wikidata":"https://www.wikidata.org/wiki/Q81163","display_name":"Polymer","level":2,"score":0.6322000026702881},{"id":"https://openalex.org/C2779281246","wikidata":"https://www.wikidata.org/wiki/Q172847","display_name":"Peptide","level":2,"score":0.599399983882904},{"id":"https://openalex.org/C2777922577","wikidata":"https://www.wikidata.org/wiki/Q146243","display_name":"Polystyrene","level":3,"score":0.5871000289916992},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.5537999868392944},{"id":"https://openalex.org/C147816474","wikidata":"https://www.wikidata.org/wiki/Q169525","display_name":"Protein engineering","level":3,"score":0.4715999960899353},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.45989999175071716},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.4336000084877014},{"id":"https://openalex.org/C179303850","wikidata":"https://www.wikidata.org/wiki/Q4300362","display_name":"Molecular recognition","level":3,"score":0.39559999108314514},{"id":"https://openalex.org/C45211672","wikidata":"https://www.wikidata.org/wiki/Q4119016","display_name":"Biodegradable polymer","level":3,"score":0.3662000000476837},{"id":"https://openalex.org/C203220038","wikidata":"https://www.wikidata.org/wiki/Q7226547","display_name":"Polymer degradation","level":3,"score":0.3447999954223633},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.34220001101493835},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.34200000762939453},{"id":"https://openalex.org/C2779679103","wikidata":"https://www.wikidata.org/wiki/Q5251805","display_name":"Degradation (telecommunications)","level":2,"score":0.3375999927520752},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.321399986743927},{"id":"https://openalex.org/C51639874","wikidata":"https://www.wikidata.org/wiki/Q167149","display_name":"Plasma protein binding","level":2,"score":0.3206000030040741},{"id":"https://openalex.org/C178910836","wikidata":"https://www.wikidata.org/wiki/Q2196961","display_name":"Molecular model","level":2,"score":0.31700000166893005},{"id":"https://openalex.org/C13935069","wikidata":"https://www.wikidata.org/wiki/Q2157266","display_name":"Oligopeptide","level":3,"score":0.311599999666214},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.3052999973297119},{"id":"https://openalex.org/C65604355","wikidata":"https://www.wikidata.org/wiki/Q3523861","display_name":"Molecular engineering","level":2,"score":0.301800012588501},{"id":"https://openalex.org/C2780017307","wikidata":"https://www.wikidata.org/wiki/Q145863","display_name":"Polyethylene terephthalate","level":2,"score":0.2957000136375427},{"id":"https://openalex.org/C2780642029","wikidata":"https://www.wikidata.org/wiki/Q726004","display_name":"Oligomer","level":2,"score":0.2944999933242798},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.29339998960494995},{"id":"https://openalex.org/C2776165026","wikidata":"https://www.wikidata.org/wiki/Q188017","display_name":"Tyrosine","level":2,"score":0.28839999437332153},{"id":"https://openalex.org/C191908910","wikidata":"https://www.wikidata.org/wiki/Q862838","display_name":"Synthetic biology","level":2,"score":0.28290000557899475},{"id":"https://openalex.org/C124790011","wikidata":"https://www.wikidata.org/wiki/Q2069797","display_name":"Peptidomimetic","level":3,"score":0.27619999647140503},{"id":"https://openalex.org/C2776029434","wikidata":"https://www.wikidata.org/wiki/Q5058394","display_name":"Cellulosome","level":5,"score":0.27140000462532043},{"id":"https://openalex.org/C53105671","wikidata":"https://www.wikidata.org/wiki/Q14777816","display_name":"Rational design","level":2,"score":0.2614000141620636}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.1002/advs.77104","doi":"https://doi.org/10.1002/advs.77104","is_oa":true,"landing_page_url":"https://doi.org/10.1002/advs.77104","pdf_url":null,"source":{"id":"https://openalex.org/S2737737698","display_name":"Advanced Science","issn_l":"2198-3844","issn":["2198-3844"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-b","jufo-1","ki-jl-2","medline","norway-1","oarl","poland-200","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Advanced Science","raw_type":"journal-article"},{"id":"pmid:42610506","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/42610506","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,"listed_in":[],"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":"Advanced science (Weinheim, Baden-Wurttemberg, Germany)","raw_type":"Journal Article"},{"id":"pmh:oai:pubmedcentral.nih.gov:13482935","doi":null,"is_oa":true,"landing_page_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC13482935/","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,"listed_in":[],"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":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Adv Sci (Weinh)","raw_type":"Text"},{"id":"doi:10.18154/rwth-2026-09303","doi":"https://doi.org/10.18154/rwth-2026-09303","is_oa":true,"landing_page_url":"https://doi.org/10.18154/rwth-2026-09303","pdf_url":null,"source":{"id":"https://openalex.org/S4306401033","display_name":"RWTH Publications (RWTH Aachen)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I887968799","host_organization_name":"RWTH Aachen University","host_organization_lineage":["https://openalex.org/I887968799"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"article-journal"}],"best_oa_location":{"id":"doi:10.1002/advs.77104","doi":"https://doi.org/10.1002/advs.77104","is_oa":true,"landing_page_url":"https://doi.org/10.1002/advs.77104","pdf_url":null,"source":{"id":"https://openalex.org/S2737737698","display_name":"Advanced Science","issn_l":"2198-3844","issn":["2198-3844"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-b","jufo-1","ki-jl-2","medline","norway-1","oarl","poland-200","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Advanced Science","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.807699978351593,"display_name":"Responsible consumption and production","id":"https://metadata.un.org/sdg/12"}],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":47,"referenced_works":["https://openalex.org/W1465169048","https://openalex.org/W1580070419","https://openalex.org/W1581549611","https://openalex.org/W1975129966","https://openalex.org/W2009403319","https://openalex.org/W2012690617","https://openalex.org/W2012940407","https://openalex.org/W2034755023","https://openalex.org/W2073495854","https://openalex.org/W2111996418","https://openalex.org/W2141273392","https://openalex.org/W2293626774","https://openalex.org/W2520704041","https://openalex.org/W2598822503","https://openalex.org/W2737217596","https://openalex.org/W2766233430","https://openalex.org/W2908032086","https://openalex.org/W2963129292","https://openalex.org/W2976131546","https://openalex.org/W3101225907","https://openalex.org/W3104412257","https://openalex.org/W3120643588","https://openalex.org/W3121954860","https://openalex.org/W3145808230","https://openalex.org/W3212271868","https://openalex.org/W4210437765","https://openalex.org/W4281291192","https://openalex.org/W4289793558","https://openalex.org/W4296552941","https://openalex.org/W4315785366","https://openalex.org/W4383228290","https://openalex.org/W4386116275","https://openalex.org/W4386774044","https://openalex.org/W4386944107","https://openalex.org/W4391109524","https://openalex.org/W4395695931","https://openalex.org/W4396637515","https://openalex.org/W4396921618","https://openalex.org/W4398146170","https://openalex.org/W4404192026","https://openalex.org/W4404918415","https://openalex.org/W4405266535","https://openalex.org/W4406064543","https://openalex.org/W4407602988","https://openalex.org/W4411377746","https://openalex.org/W4413025787","https://openalex.org/W4414646260"],"related_works":["https://openalex.org/W4386774044","https://openalex.org/W4414705254","https://openalex.org/W7166828008","https://openalex.org/W4386944107","https://openalex.org/W2897598845","https://openalex.org/W4411454387","https://openalex.org/W7154593758","https://openalex.org/W7125280083","https://openalex.org/W4375948367","https://openalex.org/W7113229861"],"abstract_inverted_index":{"ABSTRACT":[0],"Synthetic":[1],"polymers":[2],"are":[3],"indispensable":[4],"but":[5],"pose":[6],"major":[7],"recycling":[8,17],"challenges,":[9],"particularly":[10],"in":[11,84,110,131,176],"mixed":[12,177],"plastic":[13],"waste":[14],"streams.":[15],"Enzymatic":[16],"offers":[18],"a":[19,63,127,182],"promising":[20],"route":[21],"to":[22,48,80,139,167],"specific":[23,49],"polymer":[24,36,50,56,196],"depolymerization":[25],"into":[26],"oligomers":[27],"and":[28,145,172,189],"monomers.":[29],"This":[30,135,179],"requires":[31],"controlling":[32],"molecular":[33,118,192],"recognition":[34,193],"at":[35,194],"interfaces.":[37,197],"Material\u2010binding":[38],"peptides":[39,143,188],"(MBPs)":[40],"can":[41],"enhance":[42],"catalytic":[43],"degradation":[44,175],"by":[45,96,154,163],"directing":[46],"catalysts":[47],"surfaces,":[51],"yet":[52],"strategies":[53],"for":[54,66,184],"engineering":[55,185],"specificity":[57],"remain":[58],"limited.":[59],"Here,":[60],"we":[61],"introduce":[62],"computational\u2013experimental":[64],"workflow":[65,180],"designing":[67],"polymer\u2010selective":[68,186],"MBPs.":[69],"Molecular":[70],"dynamics":[71,119],"simulations":[72,120],"identified":[73],"aromatic":[74],"tyrosine":[75],"residues":[76],"as":[77],"key":[78],"contributors":[79],"polystyrene":[81],"(PS)":[82],"binding":[83,112,132,153,187],"the":[85,122,140,168],"MBP":[86],"MacHis,":[87],"while":[88,113],"polyethylene":[89],"terephthalate":[90],"(PET)":[91],"interactions":[92],"were":[93,102],"unaffected.":[94],"Guided":[95],"these":[97],"insights,":[98],"targeted":[99],"tyrosine\u2010to\u2010glutamate":[100],"substitutions":[101,150],"introduced,":[103],"yielding":[104],"variants":[105,166],"with":[106],"an":[107],"85%":[108],"reduction":[109],"PS":[111,124,152],"maintaining":[114],"PET":[115,174],"affinity.":[116],"Steered":[117],"confirmed":[121],"reduced":[123,151],"interaction,":[125],"predicting":[126],"comparable":[128],"69%":[129],"decrease":[130],"free":[133],"energy.":[134],"design":[136],"principle":[137],"generalized":[138],"structurally":[141],"distinct":[142],"LCI":[144],"Tachystatin":[146],"A2,":[147],"where":[148],"analogous":[149],"67%":[155],"or":[156],"74%,":[157],"respectively.":[158],"Practical":[159],"application":[160],"was":[161],"shown":[162],"fusing":[164],"peptide":[165],"LCC":[169],"ICCG":[170],"enzyme":[171],"characterizing":[173],"plastics.":[178],"provides":[181],"strategy":[183],"enables":[190],"programmable":[191],"synthetic":[195]},"counts_by_year":[],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2026-08-19T00:00:00"}
