{"id":"https://openalex.org/W154106876","doi":"https://doi.org/10.1186/1758-2946-5-s1-p10","title":"Is the novel amyloid-\u03b2 tetramer fold a stable conformation?","display_name":"Is the novel amyloid-\u03b2 tetramer fold a stable conformation?","publication_year":2013,"publication_date":"2013-03-01","ids":{"openalex":"https://openalex.org/W154106876","doi":"https://doi.org/10.1186/1758-2946-5-s1-p10","mag":"154106876"},"language":"en","primary_location":{"id":"doi:10.1186/1758-2946-5-s1-p10","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-5-s1-p10","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-5-S1-P10","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"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-5-S1-P10","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5073228339","display_name":"Eileen Socher","orcid":"https://orcid.org/0000-0002-6239-3749"},"institutions":[{"id":"https://openalex.org/I181369854","display_name":"Friedrich-Alexander-Universit\u00e4t Erlangen-N\u00fcrnberg","ror":"https://ror.org/00f7hpc57","country_code":"DE","type":"education","lineage":["https://openalex.org/I181369854"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"Eileen Socher","raw_affiliation_strings":["Bioinformatik, Friedrich-Alexander-Universit\u00e4t Erlangen-N\u00fcrnberg, Erlangen, 91054, Germany","Bioinformatik, Friedrich-Alexander-Universit\u00e4t Erlangen-N\u00fcrnberg, Erlangen, Germany"],"affiliations":[{"raw_affiliation_string":"Bioinformatik, Friedrich-Alexander-Universit\u00e4t Erlangen-N\u00fcrnberg, Erlangen, 91054, Germany","institution_ids":["https://openalex.org/I181369854"]},{"raw_affiliation_string":"Bioinformatik, Friedrich-Alexander-Universit\u00e4t Erlangen-N\u00fcrnberg, Erlangen, Germany","institution_ids":["https://openalex.org/I181369854"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029952472","display_name":"Anselm H. C. Horn","orcid":"https://orcid.org/0000-0003-3539-8103"},"institutions":[{"id":"https://openalex.org/I181369854","display_name":"Friedrich-Alexander-Universit\u00e4t Erlangen-N\u00fcrnberg","ror":"https://ror.org/00f7hpc57","country_code":"DE","type":"education","lineage":["https://openalex.org/I181369854"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Anselm HC Horn","raw_affiliation_strings":["Bioinformatik, Friedrich-Alexander-Universit\u00e4t Erlangen-N\u00fcrnberg, Erlangen, 91054, Germany","Bioinformatik, Friedrich-Alexander-Universit\u00e4t Erlangen-N\u00fcrnberg, Erlangen, Germany"],"affiliations":[{"raw_affiliation_string":"Bioinformatik, Friedrich-Alexander-Universit\u00e4t Erlangen-N\u00fcrnberg, Erlangen, 91054, Germany","institution_ids":["https://openalex.org/I181369854"]},{"raw_affiliation_string":"Bioinformatik, Friedrich-Alexander-Universit\u00e4t Erlangen-N\u00fcrnberg, Erlangen, Germany","institution_ids":["https://openalex.org/I181369854"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5065393453","display_name":"Heinrich Sticht","orcid":"https://orcid.org/0000-0001-5644-045X"},"institutions":[{"id":"https://openalex.org/I181369854","display_name":"Friedrich-Alexander-Universit\u00e4t Erlangen-N\u00fcrnberg","ror":"https://ror.org/00f7hpc57","country_code":"DE","type":"education","lineage":["https://openalex.org/I181369854"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Heinrich Sticht","raw_affiliation_strings":["Bioinformatik, Friedrich-Alexander-Universit\u00e4t Erlangen-N\u00fcrnberg, Erlangen, 91054, Germany","Bioinformatik, Friedrich-Alexander-Universit\u00e4t Erlangen-N\u00fcrnberg, Erlangen, Germany"],"affiliations":[{"raw_affiliation_string":"Bioinformatik, Friedrich-Alexander-Universit\u00e4t Erlangen-N\u00fcrnberg, Erlangen, 91054, Germany","institution_ids":["https://openalex.org/I181369854"]},{"raw_affiliation_string":"Bioinformatik, Friedrich-Alexander-Universit\u00e4t Erlangen-N\u00fcrnberg, Erlangen, Germany","institution_ids":["https://openalex.org/I181369854"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5073228339"],"corresponding_institution_ids":["https://openalex.org/I181369854"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.01551606,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"5","issue":"S1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10086","display_name":"Alzheimer's disease research and treatments","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/2737","display_name":"Physiology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T10086","display_name":"Alzheimer's disease research and treatments","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/2737","display_name":"Physiology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9965999722480774,"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"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9954000115394592,"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/tetramer","display_name":"Tetramer","score":0.8856121301651001},{"id":"https://openalex.org/keywords/antiparallel","display_name":"Antiparallel (mathematics)","score":0.6696239709854126},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.6187720894813538},{"id":"https://openalex.org/keywords/peptide","display_name":"Peptide","score":0.6119949221611023},{"id":"https://openalex.org/keywords/fibril","display_name":"Fibril","score":0.559396505355835},{"id":"https://openalex.org/keywords/monomer","display_name":"Monomer","score":0.4957967698574066},{"id":"https://openalex.org/keywords/beta-sheet","display_name":"Beta sheet","score":0.49431467056274414},{"id":"https://openalex.org/keywords/dimer","display_name":"Dimer","score":0.4791907072067261},{"id":"https://openalex.org/keywords/amyloid","display_name":"Amyloid (mycology)","score":0.47849029302597046},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.4415156841278076},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.43577560782432556},{"id":"https://openalex.org/keywords/moiety","display_name":"Moiety","score":0.42741259932518005},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.3893240690231323},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.22044634819030762},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.15063923597335815},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.08724719285964966}],"concepts":[{"id":"https://openalex.org/C2778886173","wikidata":"https://www.wikidata.org/wiki/Q53832","display_name":"Tetramer","level":3,"score":0.8856121301651001},{"id":"https://openalex.org/C142089489","wikidata":"https://www.wikidata.org/wiki/Q1053976","display_name":"Antiparallel (mathematics)","level":3,"score":0.6696239709854126},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6187720894813538},{"id":"https://openalex.org/C2779281246","wikidata":"https://www.wikidata.org/wiki/Q172847","display_name":"Peptide","level":2,"score":0.6119949221611023},{"id":"https://openalex.org/C27523624","wikidata":"https://www.wikidata.org/wiki/Q14860849","display_name":"Fibril","level":2,"score":0.559396505355835},{"id":"https://openalex.org/C166940927","wikidata":"https://www.wikidata.org/wiki/Q178827","display_name":"Monomer","level":3,"score":0.4957967698574066},{"id":"https://openalex.org/C159547669","wikidata":"https://www.wikidata.org/wiki/Q283449","display_name":"Beta sheet","level":3,"score":0.49431467056274414},{"id":"https://openalex.org/C2779546866","wikidata":"https://www.wikidata.org/wiki/Q531306","display_name":"Dimer","level":2,"score":0.4791907072067261},{"id":"https://openalex.org/C2777633098","wikidata":"https://www.wikidata.org/wiki/Q2736051","display_name":"Amyloid (mycology)","level":2,"score":0.47849029302597046},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.4415156841278076},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.43577560782432556},{"id":"https://openalex.org/C2776568683","wikidata":"https://www.wikidata.org/wiki/Q23005640","display_name":"Moiety","level":2,"score":0.42741259932518005},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.3893240690231323},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.22044634819030762},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.15063923597335815},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.08724719285964966},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0},{"id":"https://openalex.org/C521977710","wikidata":"https://www.wikidata.org/wiki/Q81163","display_name":"Polymer","level":2,"score":0.0},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C115260700","wikidata":"https://www.wikidata.org/wiki/Q11408","display_name":"Magnetic field","level":2,"score":0.0},{"id":"https://openalex.org/C179104552","wikidata":"https://www.wikidata.org/wiki/Q11165","display_name":"Inorganic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1186/1758-2946-5-s1-p10","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-5-s1-p10","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-5-S1-P10","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":"pmh:oai:europepmc.org:2605487","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3606225","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"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":null,"raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1186/1758-2946-5-s1-p10","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-5-s1-p10","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-5-S1-P10","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":[{"display_name":"Life below water","score":0.46000000834465027,"id":"https://metadata.un.org/sdg/14"},{"display_name":"Good health and well-being","score":0.41999998688697815,"id":"https://metadata.un.org/sdg/3"}],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W154106876.pdf","grobid_xml":"https://content.openalex.org/works/W154106876.grobid-xml"},"referenced_works_count":3,"referenced_works":["https://openalex.org/W1978436291","https://openalex.org/W1980825524","https://openalex.org/W2013780997"],"related_works":["https://openalex.org/W2103262188","https://openalex.org/W2951937371","https://openalex.org/W2313505153","https://openalex.org/W2011433843","https://openalex.org/W2770601688","https://openalex.org/W1970329518","https://openalex.org/W1930638136","https://openalex.org/W4296459802","https://openalex.org/W1986183791","https://openalex.org/W1997916178"],"abstract_inverted_index":{"In":[0,205],"the":[1,7,12,21,28,52,70,82,89,123,128,140,153,160,166,175,186,199,216,220,223,227,235,244,254,274],"pathogenesis":[2],"of":[3,39,45,54,84,88,94,118,127,144,218,222,276],"Alzheimer's":[4],"disease":[5],"(AD),":[6],"most":[8],"common":[9],"neurodegenerative":[10],"disorder,":[11],"amyloid-\u03b2":[13,189],"(A\u03b2)":[14],"peptide":[15],"plays":[16],"a":[17,32,61,114,119,145,171,211,249,265],"key":[18],"role.":[19],"Originally,":[20],"A\u03b2":[22,47,66,71,77,129],"fibrils":[23,72],"were":[24],"postulated":[25],"to":[26,81,207],"be":[27,264],"neurotoxic":[29,258],"agents":[30],"for":[31,64,69,100,174,185,215,234,253],"long":[33],"time,":[34],"because":[35],"an":[36,104],"increased":[37],"presence":[38],"extracellular":[40],"amyloid":[41],"plaques,":[42],"composed":[43],"primarily":[44],"insoluble":[46],"fibrils,":[48],"is":[49,103,157,232],"found":[50],"in":[51,182,191,268],"brain":[53],"affected":[55],"patients.":[56],"Recent":[57],"studies,":[58],"however,":[59],"showed":[60],"higher":[62],"cytotoxicity":[63],"small":[65,101],"oligomers":[67,78,102],"than":[68],"so":[73],"that":[74,243],"these":[75,95],"soluble":[76],"are":[79],"moving":[80],"centre":[83],"interest":[85],"now":[86],"[1,2].\r\n\r\nBecause":[87],"unstable":[90],"and":[91,196,198,202,230,256,261],"noncrystalline":[92],"nature":[93],"species,":[96],"obtaining":[97],"structural":[98,109,237],"information":[99],"experimentally":[105],"challenging":[106],"task.":[107],"Novel":[108],"insight":[110],"was":[111,136],"obtained":[112],"from":[113],"recent":[115],"crystal":[116,155],"structure":[117,156,247],"tetramer":[120,217],"formed":[121],"by":[122,159],"amyloidogenic":[124],"residues":[125,228],"18-41":[126],"peptide.":[130],"To":[131],"enhance":[132],"stability,":[133],"this":[134],"fragment":[135,190],"genetically":[137],"engineered":[138],"into":[139],"CDR3":[141],"loop":[142],"region":[143],"shark":[146],"Ig":[147],"single":[148],"variable":[149],"domain":[150],"antibody":[151,161],"[3].\r\n\r\nSince":[152],"respective":[154,167],"stabilized":[158],"moiety,":[162],"we":[163,209],"investigated,":[164],"whether":[165],"topology":[168],"also":[169],"represents":[170,248],"stable":[172,212,250],"fold":[173],"isolated":[176,187],"A\u03b2-peptide.\r\n\r\nWe":[177],"performed":[178],"molecular":[179],"dynamics":[180],"simulations":[181],"explicit":[183],"solvent":[184],"tetrameric":[188,246],"two":[192],"different":[193],"lengths":[194],"(17-40":[195],"17-42)":[197],"derived":[200],"dimer":[201],"monomer":[203],"structures.":[204],"contrast":[206],"A\u03b217-40,":[208],"observed":[210],"dynamical":[213],"behaviour":[214],"A\u03b217-42:":[219],"extension":[221],"antiparallel":[224],"\u03b2-sheet":[225],"through":[226],"41":[229],"42":[231],"responsible":[233],"enhanced":[236],"stability.\r\n\r\nIn":[238],"summary,":[239],"our":[240],"results":[241],"suggest":[242],"novel":[245],"oligomer":[251,278],"conformation":[252],"longer":[255],"more":[257],"A\u03b242":[259],"species":[260],"thus":[262],"could":[263],"new":[266],"target":[267],"rational":[269],"drug":[270],"design":[271],"aiming":[272],"at":[273],"prevention":[275],"toxic":[277],"formation.":[279]},"counts_by_year":[],"updated_date":"2026-03-20T23:20:44.827607","created_date":"2025-10-10T00:00:00"}