{"id":"https://openalex.org/W6963609341","doi":"https://doi.org/10.21227/a3k1-vh71","title":"Predicting Antibody and ACE2 Affinity for SARS-CoV-2 BA.2.86 with In Silico Protein Modeling and Docking","display_name":"Predicting Antibody and ACE2 Affinity for SARS-CoV-2 BA.2.86 with In Silico Protein Modeling and Docking","publication_year":2024,"publication_date":"2024-03-19","ids":{"openalex":"https://openalex.org/W6963609341","doi":"https://doi.org/10.21227/a3k1-vh71"},"language":"en","primary_location":{"id":"doi:10.21227/a3k1-vh71","is_oa":true,"landing_page_url":"https://doi.org/10.21227/a3k1-vh71","pdf_url":null,"source":{"id":"https://openalex.org/S7407051695","display_name":"IEEE DataPort","issn_l":null,"issn":[],"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"dataset"},"type":"dataset","indexed_in":["datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://doi.org/10.21227/a3k1-vh71","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":null,"display_name":"Yasa, Shirish","orcid":null},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Yasa, Shirish","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"middle","author":{"id":null,"display_name":"Guirales-Medrano, Sayal","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Guirales-Medrano, Sayal","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"middle","author":{"id":null,"display_name":"Jacob Machado, Denis","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Jacob Machado, Denis","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"middle","author":{"id":null,"display_name":"Ford, Colby","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Ford, Colby","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"last","author":{"id":null,"display_name":"Janies, Daniel","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Janies, Daniel","raw_affiliation_strings":[],"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":5,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"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":true,"primary_topic":null,"topics":[],"keywords":[{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.8819000124931335},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.6852999925613403},{"id":"https://openalex.org/keywords/antibody","display_name":"Antibody","score":0.5712000131607056},{"id":"https://openalex.org/keywords/neutralization","display_name":"Neutralization","score":0.43220001459121704},{"id":"https://openalex.org/keywords/coronavirus-disease-2019","display_name":"Coronavirus disease 2019 (COVID-19)","score":0.4291999936103821},{"id":"https://openalex.org/keywords/severe-acute-respiratory-syndrome-coronavirus-2","display_name":"Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)","score":0.4242999851703644},{"id":"https://openalex.org/keywords/binding-site","display_name":"Binding site","score":0.41780000925064087},{"id":"https://openalex.org/keywords/pandemic","display_name":"Pandemic","score":0.3747999966144562}],"concepts":[{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.8819000124931335},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.6852999925613403},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.6079000234603882},{"id":"https://openalex.org/C159654299","wikidata":"https://www.wikidata.org/wiki/Q79460","display_name":"Antibody","level":2,"score":0.5712000131607056},{"id":"https://openalex.org/C14086860","wikidata":"https://www.wikidata.org/wiki/Q337120","display_name":"Neutralization","level":3,"score":0.43220001459121704},{"id":"https://openalex.org/C3008058167","wikidata":"https://www.wikidata.org/wiki/Q84263196","display_name":"Coronavirus disease 2019 (COVID-19)","level":4,"score":0.4291999936103821},{"id":"https://openalex.org/C3007834351","wikidata":"https://www.wikidata.org/wiki/Q82069695","display_name":"Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)","level":5,"score":0.4242999851703644},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.41780000925064087},{"id":"https://openalex.org/C159047783","wikidata":"https://www.wikidata.org/wiki/Q7215","display_name":"Virology","level":1,"score":0.41200000047683716},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.4092999994754791},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3765000104904175},{"id":"https://openalex.org/C89623803","wikidata":"https://www.wikidata.org/wiki/Q12184","display_name":"Pandemic","level":5,"score":0.3747999966144562},{"id":"https://openalex.org/C51639874","wikidata":"https://www.wikidata.org/wiki/Q167149","display_name":"Plasma protein binding","level":2,"score":0.3702999949455261},{"id":"https://openalex.org/C8891405","wikidata":"https://www.wikidata.org/wiki/Q1059","display_name":"Immune system","level":2,"score":0.3668999969959259},{"id":"https://openalex.org/C2987857752","wikidata":"https://www.wikidata.org/wiki/Q12147","display_name":"Human health","level":2,"score":0.3499999940395355},{"id":"https://openalex.org/C3018558359","wikidata":"https://www.wikidata.org/wiki/Q1660157","display_name":"Immune escape","level":3,"score":0.2937999963760376},{"id":"https://openalex.org/C3019232848","wikidata":"https://www.wikidata.org/wiki/Q29548","display_name":"Surface protein","level":2,"score":0.2840000092983246},{"id":"https://openalex.org/C2781377902","wikidata":"https://www.wikidata.org/wiki/Q21418769","display_name":"Affinity maturation","level":3,"score":0.2786000072956085},{"id":"https://openalex.org/C96739231","wikidata":"https://www.wikidata.org/wiki/Q4914025","display_name":"Binding selectivity","level":2,"score":0.26440000534057617},{"id":"https://openalex.org/C542903549","wikidata":"https://www.wikidata.org/wiki/Q422248","display_name":"Monoclonal antibody","level":3,"score":0.26339998841285706},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2614000141620636},{"id":"https://openalex.org/C2780430158","wikidata":"https://www.wikidata.org/wiki/Q7685902","display_name":"Target protein","level":3,"score":0.26080000400543213},{"id":"https://openalex.org/C3006700255","wikidata":"https://www.wikidata.org/wiki/Q81068910","display_name":"2019-20 coronavirus outbreak","level":3,"score":0.2574999928474426}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.21227/a3k1-vh71","is_oa":true,"landing_page_url":"https://doi.org/10.21227/a3k1-vh71","pdf_url":null,"source":{"id":"https://openalex.org/S7407051695","display_name":"IEEE DataPort","issn_l":null,"issn":[],"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":null,"raw_source_name":null,"raw_type":"dataset"}],"best_oa_location":{"id":"doi:10.21227/a3k1-vh71","is_oa":true,"landing_page_url":"https://doi.org/10.21227/a3k1-vh71","pdf_url":null,"source":{"id":"https://openalex.org/S7407051695","display_name":"IEEE DataPort","issn_l":null,"issn":[],"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"dataset"},"sustainable_development_goals":[{"score":0.8005461692810059,"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":[],"abstract_inverted_index":{"The":[0],"emergence":[1],"of":[2,6,37,121,133],"the":[3,61,64,138,171,191],"Omicron":[4,74],"sublineage":[5],"SARS-CoV-2":[7,70,211],"virusBA.2.86":[8],"(nicknamed":[9],"\u201cPirola\u201d)":[10],"has":[11],"raised":[12],"concerns":[13],"about":[14],"its":[15,128],"potentialimpact":[16,194],"on":[17,127,195],"public":[18,196],"health":[19,22],"and":[20,56,67,73,85,109,136,141,147,168,185,213],"personal":[21],"as":[23],"it":[24],"hasmany":[25],"mutations":[26],"with":[27],"respect":[28],"to":[29,144,189,208],"previous":[30,69],"variants.":[31],"We":[32,51,58,100,130],"conductedan":[33],"in":[34,105,177,205],"silico":[35,178],"analysis":[36],"neutralizing":[38],"antibody":[39],"binding":[40,53,62,82,106],"toBA.2.86.":[41],"Selected":[42],"antibodies":[43,66,167],"came":[44],"from":[45,160],"patients":[46],"who":[47],"were":[48],"vaccinatedand/or":[49],"infected.":[50],"predicted":[52,60],"affinity":[54,83,107],"betweenBA.2.86":[55,84,108],"antibodies.":[57],"also":[59],"affinitybetween":[63],"same":[65],"several":[68],"variants":[71],"(Wuhan":[72],"descendants":[75],"BA.1,":[76],"BA.2,":[77],"andXBB.1.5).":[78],"Additionally,":[79],"we":[80,199],"examined":[81],"human":[86],"angiotensin":[87],"converting":[88],"enzyme":[89],"2":[90],"(ACE2)receptor,":[91],"a":[92,113],"cell":[93],"surface":[94],"protein":[95],"crucial":[96],"for":[97,176,202,215],"viral":[98],"entry.":[99],"foundno":[101],"statistically":[102],"significant":[103],"difference":[104],"other":[110],"variants,":[111],"indicating":[112],"similar":[114],"immune":[115,123],"response.These":[116],"findings":[117,135],"contradict":[118],"media":[119],"reports":[120],"BA.2.86\u2019shigh":[122],"evasion":[124],"potential":[125],"based":[126],"mutations.":[129],"discussthe":[131],"implications":[132],"our":[134],"highlight":[137],"need":[139],"formodeling":[140],"docking":[142],"studies":[143,179],"go":[145],"above":[146],"beyond":[148],"mutationand":[149],"basic":[150],"serological":[151],"neutralization":[152],"analysis.":[153],"Future":[154],"researchin":[155],"this":[156],"area":[157],"will":[158],"benefit":[159],"increased":[161],"structural":[162],"analyses":[163],"ofmemory":[164],"B-cell":[165],"derived":[166],"should":[169],"emphasize":[170],"importanceof":[172],"choosing":[173],"appropriate":[174],"samples":[175],"toassess":[180],"protection":[181],"provided":[182],"by":[183],"vaccination":[184],"infection.":[186],"Thisresearch":[187],"contributes":[188],"understanding":[190],"BA.2.86":[192],"variant\u2019s":[193],"health.":[197],"Moreover,":[198],"introduce":[200],"newmethodologies":[201],"predictive":[203],"medicine":[204],"ongoing":[206],"efforts":[207],"combatthe":[209],"evolving":[210],"pandemic":[212],"prepare":[214],"otherhazards.":[216]},"counts_by_year":[],"updated_date":"2025-11-06T06:51:31.235846","created_date":"2025-10-10T00:00:00"}