{"id":"https://openalex.org/W7207593404","doi":"https://doi.org/10.26434/chemrxiv.15008246/v1","title":"GeoDSSOP: Geometry-aware prediction of protein backbone order parameters from sequence and structure","display_name":"GeoDSSOP: Geometry-aware prediction of protein backbone order parameters from sequence and structure","publication_year":2026,"publication_date":"2026-09-03","ids":{"openalex":"https://openalex.org/W7207593404","doi":"https://doi.org/10.26434/chemrxiv.15008246/v1"},"language":"en","primary_location":{"id":"doi:10.26434/chemrxiv.15008246/v1","doi":"https://doi.org/10.26434/chemrxiv.15008246/v1","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv.15008246/v1","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15008246/v1","source":{"id":"https://openalex.org/S4393918830","display_name":"ChemRxiv","issn_l":"2573-2293","issn":["2573-2293"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},"volume":null,"type":"preprint","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15008246/v1","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5133752440","display_name":"Wanjia Tang","orcid":"https://orcid.org/0009-0001-3850-6029","observed_orcids":["https://orcid.org/0009-0001-3850-6029"]},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210099135","display_name":"Wuhan Institute of Physics and Mathematics","ror":"https://ror.org/00zky9d41","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210099135","https://openalex.org/I4405261497"]},{"id":"https://openalex.org/I4405261497","display_name":"Innovation Academy for Precision Measurement Science and Technology, CAS","ror":"https://ror.org/05cy2r844","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4405261497"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Wanjia Tang","raw_affiliation_strings":["National Center for Magnetic Resonance in Wuhan, Wuhan Institute of Physics and Mathematics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences","State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"National Center for Magnetic Resonance in Wuhan, Wuhan Institute of Physics and Mathematics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210099135","https://openalex.org/I4405261497"]},{"raw_affiliation_string":"State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5133810992","display_name":"Qianqian Wang","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210099135","display_name":"Wuhan Institute of Physics and Mathematics","ror":"https://ror.org/00zky9d41","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210099135","https://openalex.org/I4405261497"]},{"id":"https://openalex.org/I4405261497","display_name":"Innovation Academy for Precision Measurement Science and Technology, CAS","ror":"https://ror.org/05cy2r844","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4405261497"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Qianqian Wang","raw_affiliation_strings":["National Center for Magnetic Resonance in Wuhan, Wuhan Institute of Physics and Mathematics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences","State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"National Center for Magnetic Resonance in Wuhan, Wuhan Institute of Physics and Mathematics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210099135","https://openalex.org/I4405261497"]},{"raw_affiliation_string":"State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5133825695","display_name":"Xiongjie Xiao","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210099135","display_name":"Wuhan Institute of Physics and Mathematics","ror":"https://ror.org/00zky9d41","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210099135","https://openalex.org/I4405261497"]},{"id":"https://openalex.org/I4210165038","display_name":"University of Chinese Academy of Sciences","ror":"https://ror.org/05qbk4x57","country_code":"CN","type":"education","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210165038"]},{"id":"https://openalex.org/I4405261497","display_name":"Innovation Academy for Precision Measurement Science and Technology, CAS","ror":"https://ror.org/05cy2r844","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4405261497"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiongjie Xiao","raw_affiliation_strings":["National Center for Magnetic Resonance in Wuhan, Wuhan Institute of Physics and Mathematics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences","State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging","University of Chinese Academy of Sciences"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"National Center for Magnetic Resonance in Wuhan, Wuhan Institute of Physics and Mathematics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210099135","https://openalex.org/I4405261497"]},{"raw_affiliation_string":"State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging","institution_ids":[]},{"raw_affiliation_string":"University of Chinese Academy of Sciences","institution_ids":["https://openalex.org/I4210165038"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5134667414","display_name":"Xu Zhang","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210099135","display_name":"Wuhan Institute of Physics and Mathematics","ror":"https://ror.org/00zky9d41","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210099135","https://openalex.org/I4405261497"]},{"id":"https://openalex.org/I4210165038","display_name":"University of Chinese Academy of Sciences","ror":"https://ror.org/05qbk4x57","country_code":"CN","type":"education","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210165038"]},{"id":"https://openalex.org/I4405261497","display_name":"Innovation Academy for Precision Measurement Science and Technology, CAS","ror":"https://ror.org/05cy2r844","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4405261497"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xu Zhang","raw_affiliation_strings":["National Center for Magnetic Resonance in Wuhan, Wuhan Institute of Physics and Mathematics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences","State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging","University of Chinese Academy of Sciences"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"National Center for Magnetic Resonance in Wuhan, Wuhan Institute of Physics and Mathematics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210099135","https://openalex.org/I4405261497"]},{"raw_affiliation_string":"State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging","institution_ids":[]},{"raw_affiliation_string":"University of Chinese Academy of Sciences","institution_ids":["https://openalex.org/I4210165038"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5119271930","display_name":"Bin Jiang","orcid":"https://orcid.org/0000-0002-1450-2269","observed_orcids":["https://orcid.org/0000-0002-1450-2269","https://orcid.org/0000-0002-7514-0652"]},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210099135","display_name":"Wuhan Institute of Physics and Mathematics","ror":"https://ror.org/00zky9d41","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210099135","https://openalex.org/I4405261497"]},{"id":"https://openalex.org/I4210165038","display_name":"University of Chinese Academy of Sciences","ror":"https://ror.org/05qbk4x57","country_code":"CN","type":"education","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210165038"]},{"id":"https://openalex.org/I4405261497","display_name":"Innovation Academy for Precision Measurement Science and Technology, CAS","ror":"https://ror.org/05cy2r844","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4405261497"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Bin Jiang","raw_affiliation_strings":["National Center for Magnetic Resonance in Wuhan, Wuhan Institute of Physics and Mathematics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences","State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging","University of Chinese Academy of Sciences"],"raw_orcid":"https://orcid.org/0000-0002-1450-2269","affiliations":[{"raw_affiliation_string":"National Center for Magnetic Resonance in Wuhan, Wuhan Institute of Physics and Mathematics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210099135","https://openalex.org/I4405261497"]},{"raw_affiliation_string":"State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging","institution_ids":[]},{"raw_affiliation_string":"University of Chinese Academy of Sciences","institution_ids":["https://openalex.org/I4210165038"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5133743541","display_name":"Maili Liu","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210099135","display_name":"Wuhan Institute of Physics and Mathematics","ror":"https://ror.org/00zky9d41","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210099135","https://openalex.org/I4405261497"]},{"id":"https://openalex.org/I4210165038","display_name":"University of Chinese Academy of Sciences","ror":"https://ror.org/05qbk4x57","country_code":"CN","type":"education","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210165038"]},{"id":"https://openalex.org/I4405261497","display_name":"Innovation Academy for Precision Measurement Science and Technology, CAS","ror":"https://ror.org/05cy2r844","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4405261497"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Maili Liu","raw_affiliation_strings":["National Center for Magnetic Resonance in Wuhan, Wuhan Institute of Physics and Mathematics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences","State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging","University of Chinese Academy of Sciences"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"National Center for Magnetic Resonance in Wuhan, Wuhan Institute of Physics and Mathematics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210099135","https://openalex.org/I4405261497"]},{"raw_affiliation_string":"State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging","institution_ids":[]},{"raw_affiliation_string":"University of Chinese Academy of Sciences","institution_ids":["https://openalex.org/I4210165038"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9937000274658203,"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":0.9937000274658203,"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/T11809","display_name":"Advanced NMR Techniques and Applications","score":0.004000000189989805,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12254","display_name":"Machine Learning in Bioinformatics","score":0.0007999999797903001,"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/esm-2-embeddings","display_name":"ESM-2 embeddings","score":0.8840000033378601},{"id":"https://openalex.org/keywords/pseudo-labeling","display_name":"pseudo-labeling","score":0.6230000257492065},{"id":"https://openalex.org/keywords/deep-learning-prediction","display_name":"deep learning prediction","score":0.5400000214576721}],"concepts":[{"id":"https://openalex.org/C118505674","wikidata":"https://www.wikidata.org/wiki/Q42586063","display_name":"Encoder","level":2,"score":0.6434000134468079},{"id":"https://openalex.org/C155512373","wikidata":"https://www.wikidata.org/wiki/Q287450","display_name":"Residual","level":2,"score":0.6122000217437744},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5760999917984009},{"id":"https://openalex.org/C2778112365","wikidata":"https://www.wikidata.org/wiki/Q3511065","display_name":"Sequence (biology)","level":2,"score":0.5275999903678894},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.5120999813079834},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.445499986410141},{"id":"https://openalex.org/C178180057","wikidata":"https://www.wikidata.org/wiki/Q7251477","display_name":"Protein superfamily","level":3,"score":0.4332999885082245},{"id":"https://openalex.org/C34388435","wikidata":"https://www.wikidata.org/wiki/Q2267362","display_name":"Bounded function","level":2,"score":0.4203999936580658},{"id":"https://openalex.org/C18051474","wikidata":"https://www.wikidata.org/wiki/Q899656","display_name":"Protein structure prediction","level":3,"score":0.41929998993873596},{"id":"https://openalex.org/C45475804","wikidata":"https://www.wikidata.org/wiki/Q6675846","display_name":"Loop modeling","level":4,"score":0.40880000591278076},{"id":"https://openalex.org/C185798385","wikidata":"https://www.wikidata.org/wiki/Q1161707","display_name":"Benchmark (surveying)","level":2,"score":0.40209999680519104},{"id":"https://openalex.org/C169903167","wikidata":"https://www.wikidata.org/wiki/Q3985153","display_name":"Test set","level":2,"score":0.39239999651908875},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.37290000915527344},{"id":"https://openalex.org/C45484198","wikidata":"https://www.wikidata.org/wiki/Q827246","display_name":"Sequence alignment","level":4,"score":0.3686999976634979},{"id":"https://openalex.org/C88031987","wikidata":"https://www.wikidata.org/wiki/Q1377767","display_name":"Multiple sequence alignment","level":5,"score":0.35760000348091125},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.3549000024795532},{"id":"https://openalex.org/C4668613","wikidata":"https://www.wikidata.org/wiki/Q4116110","display_name":"Structural alignment","level":5,"score":0.350600004196167},{"id":"https://openalex.org/C153180895","wikidata":"https://www.wikidata.org/wiki/Q7148389","display_name":"Pattern recognition (psychology)","level":2,"score":0.35030001401901245},{"id":"https://openalex.org/C2781338088","wikidata":"https://www.wikidata.org/wiki/Q903495","display_name":"Residue (chemistry)","level":2,"score":0.3264999985694885},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.31349998712539673},{"id":"https://openalex.org/C10010492","wikidata":"https://www.wikidata.org/wiki/Q3142557","display_name":"Protein sequencing","level":4,"score":0.2962000072002411},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.2930999994277954},{"id":"https://openalex.org/C2778755073","wikidata":"https://www.wikidata.org/wiki/Q10858537","display_name":"Scale (ratio)","level":2,"score":0.2921000123023987},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2849000096321106},{"id":"https://openalex.org/C62614982","wikidata":"https://www.wikidata.org/wiki/Q904984","display_name":"Protein secondary structure","level":2,"score":0.2831000089645386},{"id":"https://openalex.org/C2994376932","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Amino acid residue","level":4,"score":0.2784000039100647},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.2732999920845032},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.2653000056743622},{"id":"https://openalex.org/C61053724","wikidata":"https://www.wikidata.org/wiki/Q1154615","display_name":"Sequence analysis","level":3,"score":0.25999999046325684},{"id":"https://openalex.org/C167625842","wikidata":"https://www.wikidata.org/wiki/Q899763","display_name":"Peptide sequence","level":3,"score":0.25940001010894775},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.25380000472068787},{"id":"https://openalex.org/C3019813237","wikidata":"https://www.wikidata.org/wiki/Q65089264","display_name":"Model validation","level":2,"score":0.25060001015663147}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.26434/chemrxiv.15008246/v1","doi":"https://doi.org/10.26434/chemrxiv.15008246/v1","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv.15008246/v1","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15008246/v1","source":{"id":"https://openalex.org/S4393918830","display_name":"ChemRxiv","issn_l":"2573-2293","issn":["2573-2293"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"}],"best_oa_location":{"id":"doi:10.26434/chemrxiv.15008246/v1","doi":"https://doi.org/10.26434/chemrxiv.15008246/v1","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv.15008246/v1","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15008246/v1","source":{"id":"https://openalex.org/S4393918830","display_name":"ChemRxiv","issn_l":"2573-2293","issn":["2573-2293"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7207593404.pdf","grobid_xml":"https://content.openalex.org/works/W7207593404.grobid-xml"},"referenced_works_count":29,"referenced_works":["https://openalex.org/W1996446367","https://openalex.org/W2004405255","https://openalex.org/W2007428322","https://openalex.org/W2025717854","https://openalex.org/W2030735930","https://openalex.org/W2033042066","https://openalex.org/W2037704831","https://openalex.org/W2046033161","https://openalex.org/W2048822589","https://openalex.org/W2053590485","https://openalex.org/W2077689499","https://openalex.org/W2097356092","https://openalex.org/W2100804126","https://openalex.org/W2141218040","https://openalex.org/W2283818235","https://openalex.org/W2330674934","https://openalex.org/W2792764867","https://openalex.org/W2887233834","https://openalex.org/W2924622740","https://openalex.org/W2950954328","https://openalex.org/W3177828909","https://openalex.org/W4283326616","https://openalex.org/W4317661995","https://openalex.org/W4327550249","https://openalex.org/W4388870515","https://openalex.org/W4393201605","https://openalex.org/W4412488876","https://openalex.org/W4417325872","https://openalex.org/W4417325951"],"related_works":["https://openalex.org/W4417325872","https://openalex.org/W2100804126","https://openalex.org/W4317661995","https://openalex.org/W4393201605","https://openalex.org/W4417325951","https://openalex.org/W3004002686","https://openalex.org/W2523353865","https://openalex.org/W7161267738","https://openalex.org/W7212180730","https://openalex.org/W2149751094"],"abstract_inverted_index":{"Backbone":[0],"amide":[1],"order":[2],"parameters":[3],"(S2)":[4],"describe":[5],"protein":[6,185],"motions":[7],"on":[8,93,127,140,173,211],"the":[9,71,115,165,169,191,207,212],"picosecond-to-nanosecond":[10],"time":[11],"scale":[12],"at":[13],"residue":[14,54,64],"resolution.":[15],"However,":[16],"NMR":[17,144],"measurement":[18],"and":[19,46,73,76,109,130,138,200,226,249],"calculation":[20],"from":[21,42,176,223],"atomistic":[22],"molecular":[23],"dynamics":[24],"(MD)":[25],"trajectories":[26],"are":[27],"time-consuming.":[28],"We":[29,89],"developed":[30],"GeoDSSOP":[31,50,216],"(Geometry-aware":[32],"Deep":[33],"Sequence\u2013Structure":[34],"Order-Parameter":[35],"Predictor)":[36],"to":[37,153,178],"predict":[38],"backbone":[39],"N\u2013H":[40],"S2":[41],"one":[43,47,184,227],"amino-acid":[44],"sequence":[45,72,192,225],"corresponding":[48],"structure.":[49,229],"combines":[51],"frozen":[52],"ESM-2":[53],"embeddings":[55],"with":[56,96],"a":[57,63,77,83,122,128,141,160,224,234,239,246],"geometric":[58],"vector":[59],"perceptron-style":[60],"encoder":[61],"of":[62,125,134,146],"graph.":[65],"A":[66],"gated":[67],"residual":[68],"module":[69],"fuses":[70],"structure":[74,166,186,241],"representations,":[75],"dilated":[78],"temporal":[79],"convolutional":[80],"network":[81],"gives":[82],"bounded":[84],"prediction":[85],"for":[86],"each":[87],"residue.":[88],"trained":[90],"these":[91],"models":[92],"3,490":[94],"proteins":[95,111,148],"MD-iRED":[97,174],"labels":[98],"or":[99,157,238,254],"S-OPPE":[100],"pseudo-labels.":[101],"The":[102,119],"two":[103],"label":[104],"sources":[105],"were":[106,112],"weighted":[107],"equally,":[108],"homologous":[110],"kept":[113],"in":[114],"same":[116],"data":[117],"partition.":[118],"model":[120],"gave":[121,206],"protein-macro":[123,171],"PCC":[124,172],"0.8250":[126],"protected":[129],"homology-separated":[131],"test":[132],"set":[133],"136":[135],"MD-labelled":[136],"proteins,":[137],"0.8424":[139],"historical":[142],"experimental":[143],"benchmark":[145],"ten":[147],"that":[149,183],"was":[150],"not":[151,232,251],"used":[152],"train":[154],"OPPE,":[155],"S-OPPE,":[156],"GeoDSSOP.":[158],"In":[159],"matched":[161],"three-run":[162],"ablation,":[163],"adding":[164],"pathway":[167],"increased":[168],"mean":[170],"validation":[175],"0.7220":[177],"0.8026.":[179],"This":[180],"result":[181],"shows":[182],"provides":[187],"useful":[188],"information":[189],"beyond":[190],"pathway.":[193],"Label-source":[194],"ablations":[195],"also":[196],"showed":[197],"domain-specific":[198],"performance":[199,210],"asymmetric":[201],"transfer.":[202],"Balanced":[203],"dual-source":[204],"training":[205],"best":[208],"overall":[209],"mixed-domain":[213],"development":[214],"set.":[215],"can":[217],"rapidly":[218],"produce":[219],"residue-level":[220],"fast-dynamics":[221],"profiles":[222],"available":[228],"It":[230],"does":[231,250],"require":[233],"new":[235],"MD":[236],"simulation":[237],"multi-conformer":[240],"ensemble,":[242],"but":[243],"it":[244],"remains":[245],"statistical":[247],"predictor":[248],"replace":[252],"experiment":[253],"trajectory-based":[255],"analysis.":[256]},"counts_by_year":[],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2026-09-04T00:00:00"}
