{"id":"https://openalex.org/W7162936063","doi":"https://doi.org/10.1093/bib/bbag277","title":"InversePep: Diffusion-driven structure-based inverse folding for functional peptides","display_name":"InversePep: Diffusion-driven structure-based inverse folding for functional peptides","publication_year":2026,"publication_date":"2026-05-01","ids":{"openalex":"https://openalex.org/W7162936063","doi":"https://doi.org/10.1093/bib/bbag277","pmid":"https://pubmed.ncbi.nlm.nih.gov/42218716"},"language":"en","primary_location":{"id":"doi:10.1093/bib/bbag277","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bbag277","pdf_url":null,"source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Briefings in Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://doi.org/10.1093/bib/bbag277","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5128793420","display_name":"Srinivas Kashyap Chilakamarri","orcid":null},"institutions":[{"id":"https://openalex.org/I202429437","display_name":"Defence Metallurgical Research Laboratory","ror":"https://ror.org/00jp1zb22","country_code":"IN","type":"facility","lineage":["https://openalex.org/I1340206300","https://openalex.org/I202429437","https://openalex.org/I2799351866","https://openalex.org/I4210150591"]},{"id":"https://openalex.org/I4210098074","display_name":"P.V. Narsimha Rao Telangana Veterinary University","ror":"https://ror.org/00xctjm44","country_code":"IN","type":"education","lineage":["https://openalex.org/I4210098074"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Srinivas Kashyap Chilakamarri","raw_affiliation_strings":["Department of Computer Science and Engineering, Keshav Memorial Engineering College , Uppal, Hyderabad, Telangana 500088 ,","Drugparadigm Research Lab, Uppal , Hyderabad, Telangana 500039 ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Computer Science and Engineering, Keshav Memorial Engineering College , Uppal, Hyderabad, Telangana 500088 ,","institution_ids":["https://openalex.org/I4210098074"]},{"raw_affiliation_string":"Drugparadigm Research Lab, Uppal , Hyderabad, Telangana 500039 ,","institution_ids":["https://openalex.org/I202429437"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5128700082","display_name":"Sneha Reddy Kasturi","orcid":null},"institutions":[{"id":"https://openalex.org/I202429437","display_name":"Defence Metallurgical Research Laboratory","ror":"https://ror.org/00jp1zb22","country_code":"IN","type":"facility","lineage":["https://openalex.org/I1340206300","https://openalex.org/I202429437","https://openalex.org/I2799351866","https://openalex.org/I4210150591"]},{"id":"https://openalex.org/I4210098074","display_name":"P.V. Narsimha Rao Telangana Veterinary University","ror":"https://ror.org/00xctjm44","country_code":"IN","type":"education","lineage":["https://openalex.org/I4210098074"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Sneha Reddy Kasturi","raw_affiliation_strings":["Department of Computer Science and Engineering, Keshav Memorial Engineering College , Uppal, Hyderabad, Telangana 500088 ,","Drugparadigm Research Lab, Uppal , Hyderabad, Telangana 500039 ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Computer Science and Engineering, Keshav Memorial Engineering College , Uppal, Hyderabad, Telangana 500088 ,","institution_ids":["https://openalex.org/I4210098074"]},{"raw_affiliation_string":"Drugparadigm Research Lab, Uppal , Hyderabad, Telangana 500039 ,","institution_ids":["https://openalex.org/I202429437"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5128784472","display_name":"Sai Pranav Reddy Yerrabandla","orcid":null},"institutions":[{"id":"https://openalex.org/I202429437","display_name":"Defence Metallurgical Research Laboratory","ror":"https://ror.org/00jp1zb22","country_code":"IN","type":"facility","lineage":["https://openalex.org/I1340206300","https://openalex.org/I202429437","https://openalex.org/I2799351866","https://openalex.org/I4210150591"]},{"id":"https://openalex.org/I65181880","display_name":"Indian Institute of Technology Hyderabad","ror":"https://ror.org/01j4v3x97","country_code":"IN","type":"education","lineage":["https://openalex.org/I65181880"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Sai Pranav Reddy Yerrabandla","raw_affiliation_strings":["Department of Computer Science and Engineering, Neil Gogte Institute of Technology , Uppal, Hyderabad, Telangana 500088 ,","Drugparadigm Research Lab, Uppal , Hyderabad, Telangana 500039 ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Computer Science and Engineering, Neil Gogte Institute of Technology , Uppal, Hyderabad, Telangana 500088 ,","institution_ids":["https://openalex.org/I65181880"]},{"raw_affiliation_string":"Drugparadigm Research Lab, Uppal , Hyderabad, Telangana 500039 ,","institution_ids":["https://openalex.org/I202429437"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5120523410","display_name":"Sanjana Gogte","orcid":"https://orcid.org/0009-0002-2926-3659"},"institutions":[{"id":"https://openalex.org/I202429437","display_name":"Defence Metallurgical Research Laboratory","ror":"https://ror.org/00jp1zb22","country_code":"IN","type":"facility","lineage":["https://openalex.org/I1340206300","https://openalex.org/I202429437","https://openalex.org/I2799351866","https://openalex.org/I4210150591"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Sanjana Gogte","raw_affiliation_strings":["Drugparadigm Research Lab, Uppal , Hyderabad, Telangana 500039 ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Drugparadigm Research Lab, Uppal , Hyderabad, Telangana 500039 ,","institution_ids":["https://openalex.org/I202429437"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5051326221","display_name":"Vani Kondaparthi","orcid":"https://orcid.org/0009-0007-0991-5003"},"institutions":[{"id":"https://openalex.org/I202429437","display_name":"Defence Metallurgical Research Laboratory","ror":"https://ror.org/00jp1zb22","country_code":"IN","type":"facility","lineage":["https://openalex.org/I1340206300","https://openalex.org/I202429437","https://openalex.org/I2799351866","https://openalex.org/I4210150591"]},{"id":"https://openalex.org/I4210098074","display_name":"P.V. Narsimha Rao Telangana Veterinary University","ror":"https://ror.org/00xctjm44","country_code":"IN","type":"education","lineage":["https://openalex.org/I4210098074"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Vani Kondaparthi","raw_affiliation_strings":["Department of Chemistry, Keshav Memorial Engineering College , Uppal, Hyderabad, Telangana 500088 ,","Drugparadigm Research Lab, Uppal , Hyderabad, Telangana 500039 ,"],"raw_orcid":"https://orcid.org/0009-0007-0991-5003","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Keshav Memorial Engineering College , Uppal, Hyderabad, Telangana 500088 ,","institution_ids":["https://openalex.org/I4210098074"]},{"raw_affiliation_string":"Drugparadigm Research Lab, Uppal , Hyderabad, Telangana 500039 ,","institution_ids":["https://openalex.org/I202429437"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5051326221"],"corresponding_institution_ids":["https://openalex.org/I202429437","https://openalex.org/I4210098074"],"apc_list":{"value":3885,"currency":"USD","value_usd":3885},"apc_paid":{"value":3885,"currency":"USD","value_usd":3885},"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.50932384,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"27","issue":"3","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11103","display_name":"Antimicrobial Peptides and Activities","score":0.8187000155448914,"subfield":{"id":"https://openalex.org/subfields/2404","display_name":"Microbiology"},"field":{"id":"https://openalex.org/fields/24","display_name":"Immunology and Microbiology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T11103","display_name":"Antimicrobial Peptides and Activities","score":0.8187000155448914,"subfield":{"id":"https://openalex.org/subfields/2404","display_name":"Microbiology"},"field":{"id":"https://openalex.org/fields/24","display_name":"Immunology and Microbiology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.045499999076128006,"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/T13326","display_name":"Biochemical and Structural Characterization","score":0.03590000048279762,"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/peptide","display_name":"Peptide","score":0.6697999835014343},{"id":"https://openalex.org/keywords/folding","display_name":"Folding (DSP implementation)","score":0.5712000131607056},{"id":"https://openalex.org/keywords/sequence","display_name":"Sequence (biology)","score":0.5360999703407288},{"id":"https://openalex.org/keywords/benchmark","display_name":"Benchmark (surveying)","score":0.49639999866485596},{"id":"https://openalex.org/keywords/inverse","display_name":"Inverse","score":0.46720001101493835},{"id":"https://openalex.org/keywords/encode","display_name":"ENCODE","score":0.45649999380111694},{"id":"https://openalex.org/keywords/protein-folding","display_name":"Protein folding","score":0.4359000027179718},{"id":"https://openalex.org/keywords/peptide-sequence","display_name":"Peptide sequence","score":0.40939998626708984},{"id":"https://openalex.org/keywords/protein-engineering","display_name":"Protein engineering","score":0.39149999618530273}],"concepts":[{"id":"https://openalex.org/C2779281246","wikidata":"https://www.wikidata.org/wiki/Q172847","display_name":"Peptide","level":2,"score":0.6697999835014343},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5823000073432922},{"id":"https://openalex.org/C2776545253","wikidata":"https://www.wikidata.org/wiki/Q5464292","display_name":"Folding (DSP implementation)","level":2,"score":0.5712000131607056},{"id":"https://openalex.org/C2778112365","wikidata":"https://www.wikidata.org/wiki/Q3511065","display_name":"Sequence (biology)","level":2,"score":0.5360999703407288},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5263000130653381},{"id":"https://openalex.org/C185798385","wikidata":"https://www.wikidata.org/wiki/Q1161707","display_name":"Benchmark (surveying)","level":2,"score":0.49639999866485596},{"id":"https://openalex.org/C207467116","wikidata":"https://www.wikidata.org/wiki/Q4385666","display_name":"Inverse","level":2,"score":0.46720001101493835},{"id":"https://openalex.org/C66746571","wikidata":"https://www.wikidata.org/wiki/Q1134833","display_name":"ENCODE","level":3,"score":0.45649999380111694},{"id":"https://openalex.org/C204328495","wikidata":"https://www.wikidata.org/wiki/Q847556","display_name":"Protein folding","level":2,"score":0.4359000027179718},{"id":"https://openalex.org/C167625842","wikidata":"https://www.wikidata.org/wiki/Q899763","display_name":"Peptide sequence","level":3,"score":0.40939998626708984},{"id":"https://openalex.org/C147816474","wikidata":"https://www.wikidata.org/wiki/Q169525","display_name":"Protein engineering","level":3,"score":0.39149999618530273},{"id":"https://openalex.org/C152769699","wikidata":"https://www.wikidata.org/wiki/Q410814","display_name":"Protein design","level":3,"score":0.37959998846054077},{"id":"https://openalex.org/C69131567","wikidata":"https://www.wikidata.org/wiki/Q2068215","display_name":"Structural bioinformatics","level":3,"score":0.35839998722076416},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.35760000348091125},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.3492000102996826},{"id":"https://openalex.org/C4668613","wikidata":"https://www.wikidata.org/wiki/Q4116110","display_name":"Structural alignment","level":5,"score":0.34869998693466187},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.3479999899864197},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.337799996137619},{"id":"https://openalex.org/C132525143","wikidata":"https://www.wikidata.org/wiki/Q141488","display_name":"Graph","level":2,"score":0.33550000190734863},{"id":"https://openalex.org/C70636015","wikidata":"https://www.wikidata.org/wiki/Q4300350","display_name":"Molecular biophysics","level":2,"score":0.32690000534057617},{"id":"https://openalex.org/C112972136","wikidata":"https://www.wikidata.org/wiki/Q7595718","display_name":"Stability (learning theory)","level":2,"score":0.31459999084472656},{"id":"https://openalex.org/C2777303404","wikidata":"https://www.wikidata.org/wiki/Q759757","display_name":"Convergence (economics)","level":2,"score":0.30820000171661377},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3050000071525574},{"id":"https://openalex.org/C2988375501","wikidata":"https://www.wikidata.org/wiki/Q847556","display_name":"Protein stability","level":2,"score":0.2994000017642975},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.29789999127388},{"id":"https://openalex.org/C135252773","wikidata":"https://www.wikidata.org/wiki/Q1567213","display_name":"Inverse problem","level":2,"score":0.2955000102519989},{"id":"https://openalex.org/C88031987","wikidata":"https://www.wikidata.org/wiki/Q1377767","display_name":"Multiple sequence alignment","level":5,"score":0.2784000039100647},{"id":"https://openalex.org/C10010492","wikidata":"https://www.wikidata.org/wiki/Q3142557","display_name":"Protein sequencing","level":4,"score":0.2768000066280365},{"id":"https://openalex.org/C18051474","wikidata":"https://www.wikidata.org/wiki/Q899656","display_name":"Protein structure prediction","level":3,"score":0.27219998836517334},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.26420000195503235},{"id":"https://openalex.org/C132677234","wikidata":"https://www.wikidata.org/wiki/Q3273544","display_name":"Structural motif","level":2,"score":0.2612999975681305},{"id":"https://openalex.org/C45484198","wikidata":"https://www.wikidata.org/wiki/Q827246","display_name":"Sequence alignment","level":4,"score":0.2590999901294708}],"mesh":[{"descriptor_ui":"D000098422","descriptor_name":"Graph Neural Networks","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000098422","descriptor_name":"Graph Neural Networks","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000098422","descriptor_name":"Graph Neural Networks","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000098422","descriptor_name":"Graph Neural Networks","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000098422","descriptor_name":"Graph Neural Networks","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000098422","descriptor_name":"Graph Neural Networks","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004058","descriptor_name":"Diffusion","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004058","descriptor_name":"Diffusion","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004058","descriptor_name":"Diffusion","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004058","descriptor_name":"Diffusion","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004058","descriptor_name":"Diffusion","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004058","descriptor_name":"Diffusion","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":"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":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"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":"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":"D017510","descriptor_name":"Protein Folding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D017510","descriptor_name":"Protein Folding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D017510","descriptor_name":"Protein Folding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D017510","descriptor_name":"Protein Folding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D017510","descriptor_name":"Protein Folding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D017510","descriptor_name":"Protein Folding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1093/bib/bbag277","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bbag277","pdf_url":null,"source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Briefings in Bioinformatics","raw_type":"journal-article"},{"id":"pmid:42218716","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/42218716","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":"Briefings in bioinformatics","raw_type":"Journal Article"},{"id":"pmh:oai:pubmedcentral.nih.gov:13222515","is_oa":true,"landing_page_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC13222515/","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":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Brief Bioinform","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1093/bib/bbag277","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bbag277","pdf_url":null,"source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Briefings in Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":53,"referenced_works":["https://openalex.org/W259457866","https://openalex.org/W1997868832","https://openalex.org/W2085866051","https://openalex.org/W2116604884","https://openalex.org/W2136567909","https://openalex.org/W2238189860","https://openalex.org/W2611281850","https://openalex.org/W2775002880","https://openalex.org/W2783047445","https://openalex.org/W2908241150","https://openalex.org/W2950954328","https://openalex.org/W3005407385","https://openalex.org/W3010387158","https://openalex.org/W3027325047","https://openalex.org/W3036167779","https://openalex.org/W3110257065","https://openalex.org/W3156770008","https://openalex.org/W3157808708","https://openalex.org/W3216316500","https://openalex.org/W4210484148","https://openalex.org/W4220996823","https://openalex.org/W4223581484","https://openalex.org/W4281969232","https://openalex.org/W4283727985","https://openalex.org/W4285704109","https://openalex.org/W4286500588","https://openalex.org/W4289764781","https://openalex.org/W4291994084","https://openalex.org/W4296032638","https://openalex.org/W4300425011","https://openalex.org/W4308553337","https://openalex.org/W4308771620","https://openalex.org/W4309737076","https://openalex.org/W4313453841","https://openalex.org/W4362508231","https://openalex.org/W4366213854","https://openalex.org/W4378549536","https://openalex.org/W4385245566","https://openalex.org/W4387355018","https://openalex.org/W4388185854","https://openalex.org/W4391589849","https://openalex.org/W4392391018","https://openalex.org/W4394645241","https://openalex.org/W4394666973","https://openalex.org/W4400458746","https://openalex.org/W4400932307","https://openalex.org/W4402841143","https://openalex.org/W4408276071","https://openalex.org/W4410292499","https://openalex.org/W4410528307","https://openalex.org/W4411347989","https://openalex.org/W4411514988","https://openalex.org/W4414878475"],"related_works":[],"abstract_inverted_index":{"Designing":[0],"functional":[1],"peptides":[2,64,116,218],"with":[3,135],"specific":[4],"structural":[5,120,164],"and":[6,16,44,159,165,178,205,233,245],"biochemical":[7,166],"properties":[8],"is":[9,69],"critical":[10],"for":[11,57,93,229],"applications":[12],"in":[13,78,207,239],"protein":[14],"engineering":[15],"therapeutic":[17],"discovery.":[18],"However,":[19],"most":[20],"peptide":[21,95,154,169,176,210,241,243],"design":[22],"approaches":[23],"rely":[24],"on":[25,63,149,174],"evolutionary":[26],"or":[27,76],"local":[28],"sequence":[29,66,138],"optimization":[30],"methods,":[31],"which":[32],"are":[33],"limited":[34],"when":[35],"adapting":[36],"to":[37,118,130],"peptides'":[38],"shorter":[39],"length,":[40],"high":[41],"conformational":[42],"flexibility,":[43],"unique":[45],"physicochemical":[46],"constraints.":[47],"While":[48],"recent":[49],"structure-based":[50,94],"inverse":[51,96],"folding":[52,213],"models":[53,60],"have":[54],"shown":[55],"success":[56],"proteins,":[58],"these":[59],"often":[61],"underperform":[62],"because":[65],"recovery":[67],"alone":[68],"not":[70],"a":[71,89,108,125,136,150],"reliable":[72],"indicator":[73],"of":[74,103,115,153],"stability":[75],"foldability":[77],"short,":[79],"flexible":[80],"backbones.":[81],"To":[82],"address":[83],"this":[84],"challenge,":[85],"we":[86],"introduce":[87],"InversePep,":[88],"generative":[90],"diffusion":[91],"model":[92],"folding.":[97],"InversePep":[98,161,183],"learns":[99],"the":[100,179,221],"conditional":[101],"distribution":[102],"sequences":[104,145],"that":[105,141,216],"can":[106],"adopt":[107,220],"given":[109],"backbone":[110,133],"conformation,":[111],"enabling":[112],"direct":[113],"generation":[114],"tailored":[117],"target":[119,222],"geometries.":[121],"The":[122],"framework":[123],"integrates":[124],"geometric":[126],"graph":[127],"neural":[128],"network":[129],"encode":[131],"3D":[132],"features":[134],"Transformer-based":[137],"refinement":[139],"module":[140],"iteratively":[142],"denoises":[143],"candidate":[144],"during":[146],"diffusion.":[147],"Trained":[148],"diverse":[151],"set":[152],"backbones":[155],"sourced":[156],"from":[157],"Propedia":[158],"SATPdb,":[160],"effectively":[162],"captures":[163],"diversity":[167],"across":[168],"families.":[170],"In":[171],"systematic":[172],"evaluations":[173],"held-out":[175],"structures":[177],"PepBDB":[180],"benchmark":[181],"dataset,":[182],"achieves":[184],"Mean":[185,191,197],"TM-SCORE":[186,189],"(0.51),":[187],"Median":[188,194,200],"(0.483),":[190],"RMSD-Simple":[192,195],"(1.02),":[193],"(0.97),":[196],"RMSD-Common":[198,201],"(3.13),":[199],"(2.16),":[202],"outperforming":[203],"ProteinMPNN,":[204],"ESM-IF1":[206],"generating":[208],"geometry-consistent":[209],"sequences.":[211],"In-silico":[212],"analyses":[214],"confirm":[215],"sampled":[217],"reliably":[219],"conformations.":[223],"These":[224],"results":[225],"highlight":[226],"InversePep's":[227],"capability":[228],"designing":[230],"structurally":[231],"stable":[232],"sequence-diverse":[234],"peptides,":[235],"demonstrating":[236],"its":[237],"potential":[238],"antimicrobial":[240],"discovery,":[242],"therapeutics,":[244],"molecular":[246],"probe":[247],"development.":[248]},"counts_by_year":[],"updated_date":"2026-08-21T09:56:20.448147","created_date":"2026-06-01T00:00:00"}
