{"id":"https://openalex.org/W4391594188","doi":"https://doi.org/10.1371/journal.pcbi.1011519","title":"Reconciling ASPP-p53 binding mode discrepancies through an ensemble binding framework that bridges crystallography and NMR data","display_name":"Reconciling ASPP-p53 binding mode discrepancies through an ensemble binding framework that bridges crystallography and NMR data","publication_year":2024,"publication_date":"2024-02-07","ids":{"openalex":"https://openalex.org/W4391594188","doi":"https://doi.org/10.1371/journal.pcbi.1011519","pmid":"https://pubmed.ncbi.nlm.nih.gov/38324587"},"language":"en","primary_location":{"id":"doi:10.1371/journal.pcbi.1011519","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1011519","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1011519&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLOS Computational Biology","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1011519&type=printable","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5048103478","display_name":"Te Liu","orcid":"https://orcid.org/0009-0002-3205-0988"},"institutions":[{"id":"https://openalex.org/I156144747","display_name":"Harbin Medical University","ror":"https://ror.org/05jscf583","country_code":"CN","type":"education","lineage":["https://openalex.org/I156144747"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Te Liu","raw_affiliation_strings":["Research Center for Pharmacoinformatics, College of Pharmacy, Harbin Medical University, Harbin, China"],"raw_orcid":"https://orcid.org/0009-0002-3205-0988","affiliations":[{"raw_affiliation_string":"Research Center for Pharmacoinformatics, College of Pharmacy, Harbin Medical University, Harbin, China","institution_ids":["https://openalex.org/I156144747"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103011537","display_name":"Sichao Huang","orcid":"https://orcid.org/0000-0003-3292-4577"},"institutions":[{"id":"https://openalex.org/I156144747","display_name":"Harbin Medical University","ror":"https://ror.org/05jscf583","country_code":"CN","type":"education","lineage":["https://openalex.org/I156144747"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Sichao Huang","raw_affiliation_strings":["Research Center for Pharmacoinformatics, College of Pharmacy, Harbin Medical University, Harbin, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Research Center for Pharmacoinformatics, College of Pharmacy, Harbin Medical University, Harbin, China","institution_ids":["https://openalex.org/I156144747"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100963274","display_name":"Qian Zhang","orcid":"https://orcid.org/0009-0001-8722-6568"},"institutions":[{"id":"https://openalex.org/I156144747","display_name":"Harbin Medical University","ror":"https://ror.org/05jscf583","country_code":"CN","type":"education","lineage":["https://openalex.org/I156144747"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Qian Zhang","raw_affiliation_strings":["Research Center for Pharmacoinformatics, College of Pharmacy, Harbin Medical University, Harbin, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Research Center for Pharmacoinformatics, College of Pharmacy, Harbin Medical University, Harbin, China","institution_ids":["https://openalex.org/I156144747"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101261593","display_name":"Yu Xia","orcid":"https://orcid.org/0000-0003-0952-8760"},"institutions":[{"id":"https://openalex.org/I156144747","display_name":"Harbin Medical University","ror":"https://ror.org/05jscf583","country_code":"CN","type":"education","lineage":["https://openalex.org/I156144747"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Yu Xia","raw_affiliation_strings":["Research Center for Pharmacoinformatics, College of Pharmacy, Harbin Medical University, Harbin, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Research Center for Pharmacoinformatics, College of Pharmacy, Harbin Medical University, Harbin, China","institution_ids":["https://openalex.org/I156144747"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5070680736","display_name":"Manjie Zhang","orcid":"https://orcid.org/0009-0006-5527-756X"},"institutions":[{"id":"https://openalex.org/I156144747","display_name":"Harbin Medical University","ror":"https://ror.org/05jscf583","country_code":"CN","type":"education","lineage":["https://openalex.org/I156144747"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Manjie Zhang","raw_affiliation_strings":["Research Center for Pharmacoinformatics, College of Pharmacy, Harbin Medical University, Harbin, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Research Center for Pharmacoinformatics, College of Pharmacy, Harbin Medical University, Harbin, China","institution_ids":["https://openalex.org/I156144747"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5028594091","display_name":"Bin Sun","orcid":"https://orcid.org/0000-0003-2583-4493"},"institutions":[{"id":"https://openalex.org/I156144747","display_name":"Harbin Medical University","ror":"https://ror.org/05jscf583","country_code":"CN","type":"education","lineage":["https://openalex.org/I156144747"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Bin Sun","raw_affiliation_strings":["Research Center for Pharmacoinformatics, College of Pharmacy, Harbin Medical University, Harbin, China"],"raw_orcid":"https://orcid.org/0000-0003-2583-4493","affiliations":[{"raw_affiliation_string":"Research Center for Pharmacoinformatics, College of Pharmacy, Harbin Medical University, Harbin, China","institution_ids":["https://openalex.org/I156144747"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5028594091","https://openalex.org/A5048103478","https://openalex.org/A5070680736","https://openalex.org/A5100963274","https://openalex.org/A5101261593","https://openalex.org/A5103011537"],"corresponding_institution_ids":["https://openalex.org/I156144747"],"apc_list":{"value":2655,"currency":"USD","value_usd":2655},"apc_paid":{"value":2655,"currency":"USD","value_usd":2655},"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.02511633,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"20","issue":"2","first_page":"e1011519","last_page":"e1011519"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10583","display_name":"Cancer-related Molecular Pathways","score":0.9995999932289124,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"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/T10583","display_name":"Cancer-related Molecular Pathways","score":0.9995999932289124,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"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/T11162","display_name":"Enzyme Structure and Function","score":0.9993000030517578,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9969000220298767,"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/crystallography","display_name":"Crystallography","score":0.49223843216896057},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.45375654101371765},{"id":"https://openalex.org/keywords/structural-genomics","display_name":"Structural genomics","score":0.43764957785606384},{"id":"https://openalex.org/keywords/nuclear-magnetic-resonance-spectroscopy","display_name":"Nuclear magnetic resonance spectroscopy","score":0.4350762665271759},{"id":"https://openalex.org/keywords/protein-structure","display_name":"Protein structure","score":0.4095565378665924},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.3681070804595947},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.3352052569389343},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.3095666766166687},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.30389904975891113},{"id":"https://openalex.org/keywords/nuclear-magnetic-resonance","display_name":"Nuclear magnetic resonance","score":0.23564457893371582}],"concepts":[{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.49223843216896057},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.45375654101371765},{"id":"https://openalex.org/C192772702","wikidata":"https://www.wikidata.org/wiki/Q2583975","display_name":"Structural genomics","level":3,"score":0.43764957785606384},{"id":"https://openalex.org/C66974803","wikidata":"https://www.wikidata.org/wiki/Q10359898","display_name":"Nuclear magnetic resonance spectroscopy","level":2,"score":0.4350762665271759},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.4095565378665924},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3681070804595947},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.3352052569389343},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.3095666766166687},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.30389904975891113},{"id":"https://openalex.org/C46141821","wikidata":"https://www.wikidata.org/wiki/Q209402","display_name":"Nuclear magnetic resonance","level":1,"score":0.23564457893371582}],"mesh":[{"descriptor_ui":"D003461","descriptor_name":"Crystallography","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003461","descriptor_name":"Crystallography","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003461","descriptor_name":"Crystallography","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003461","descriptor_name":"Crystallography","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016159","descriptor_name":"Tumor Suppressor Protein p53","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D016159","descriptor_name":"Tumor Suppressor Protein p53","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D016159","descriptor_name":"Tumor Suppressor Protein p53","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D016159","descriptor_name":"Tumor Suppressor Protein p53","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D017209","descriptor_name":"Apoptosis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017209","descriptor_name":"Apoptosis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017209","descriptor_name":"Apoptosis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017209","descriptor_name":"Apoptosis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D051017","descriptor_name":"Apoptosis Regulatory Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D051017","descriptor_name":"Apoptosis Regulatory Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D051017","descriptor_name":"Apoptosis Regulatory Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D051017","descriptor_name":"Apoptosis Regulatory Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true}],"locations_count":4,"locations":[{"id":"doi:10.1371/journal.pcbi.1011519","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1011519","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1011519&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLOS Computational Biology","raw_type":"journal-article"},{"id":"pmid:38324587","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/38324587","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":"PLoS computational biology","raw_type":null},{"id":"pmh:oai:pubmedcentral.nih.gov:10878502","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/10878502","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC10878502/pdf/pcbi.1011519.pdf","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"PLoS Comput Biol","raw_type":"Text"},{"id":"pmh:oai:doaj.org/article:5c2a0957e6394272a001cbd72ea1cc37","is_oa":true,"landing_page_url":"https://doaj.org/article/5c2a0957e6394272a001cbd72ea1cc37","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"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-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"PLoS Computational Biology, Vol 20, Iss 2, p e1011519 (2024)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1371/journal.pcbi.1011519","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1011519","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1011519&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLOS Computational Biology","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.8700000047683716,"display_name":"Affordable and clean energy","id":"https://metadata.un.org/sdg/7"}],"awards":[{"id":"https://openalex.org/G1539850695","display_name":null,"funder_award_id":"22002096","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G1597626285","display_name":null,"funder_award_id":"31011210004","funder_id":"https://openalex.org/F4320312270","funder_display_name":"Harbin Medical University"},{"id":"https://openalex.org/G5138503631","display_name":null,"funder_award_id":"310212000109","funder_id":"https://openalex.org/F4320312270","funder_display_name":"Harbin Medical University"},{"id":"https://openalex.org/G5645481689","display_name":null,"funder_award_id":"22002096","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320312270","display_name":"Harbin Medical University","ror":"https://ror.org/05jscf583"},{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"}],"has_content":{"pdf":true,"grobid_xml":false},"content_urls":{"pdf":"https://content.openalex.org/works/W4391594188.pdf"},"referenced_works_count":53,"referenced_works":["https://openalex.org/W1597125737","https://openalex.org/W1969189143","https://openalex.org/W1979401635","https://openalex.org/W1980782498","https://openalex.org/W2008708467","https://openalex.org/W2008765876","https://openalex.org/W2020579993","https://openalex.org/W2029667189","https://openalex.org/W2030608968","https://openalex.org/W2034299708","https://openalex.org/W2036000659","https://openalex.org/W2038458884","https://openalex.org/W2051210433","https://openalex.org/W2067174909","https://openalex.org/W2073765675","https://openalex.org/W2087732778","https://openalex.org/W2089623038","https://openalex.org/W2089797986","https://openalex.org/W2094607113","https://openalex.org/W2095521702","https://openalex.org/W2106140689","https://openalex.org/W2106768806","https://openalex.org/W2111799600","https://openalex.org/W2113307443","https://openalex.org/W2119603369","https://openalex.org/W2125218936","https://openalex.org/W2126103104","https://openalex.org/W2132569885","https://openalex.org/W2136503823","https://openalex.org/W2147988069","https://openalex.org/W2149649031","https://openalex.org/W2332712348","https://openalex.org/W2560226431","https://openalex.org/W2734356283","https://openalex.org/W2885386540","https://openalex.org/W2898094195","https://openalex.org/W2913736519","https://openalex.org/W2936581452","https://openalex.org/W2943375675","https://openalex.org/W2952660112","https://openalex.org/W2967887538","https://openalex.org/W2969205040","https://openalex.org/W2989052455","https://openalex.org/W3011950261","https://openalex.org/W3083406432","https://openalex.org/W3126119092","https://openalex.org/W3148042916","https://openalex.org/W3161544551","https://openalex.org/W4255594044","https://openalex.org/W4289935924","https://openalex.org/W4315436509","https://openalex.org/W4315499042","https://openalex.org/W4323048702"],"related_works":["https://openalex.org/W2053972265","https://openalex.org/W1498615754","https://openalex.org/W2077847478","https://openalex.org/W1981937004","https://openalex.org/W2063621561","https://openalex.org/W2024463335","https://openalex.org/W2346580382","https://openalex.org/W2015390241","https://openalex.org/W2118652015","https://openalex.org/W2166261803"],"abstract_inverted_index":{"ASPP2":[0],"and":[1,14,113,122,158,209],"iASPP":[2],"bind":[3,35],"to":[4,11,34,36,60,87,134,187,194,201],"p53":[5],"through":[6],"their":[7,31],"conserved":[8],"ANK-SH3":[9,32],"domains":[10,33],"respectively":[12],"promote":[13],"inhibit":[15],"p53-dependent":[16],"cell":[17],"apoptosis.":[18],"While":[19],"crystallography":[20,157],"has":[21,41],"indicated":[22],"that":[23,70,107,164,180,197],"these":[24,198,214],"two":[25,149],"proteins":[26],"employ":[27],"distinct":[28],"surfaces":[29],"of":[30,98,170],"p53,":[37],"solution":[38,159],"NMR":[39],"data":[40],"suggested":[42],"similar":[43],"surfaces.":[44],"In":[45],"this":[46,103],"study,":[47],"we":[48,178],"employed":[49],"multi-scale":[50],"molecular":[51],"dynamics":[52],"(MD)":[53],"simulations":[54],"combined":[55],"with":[56,89],"free":[57,126],"energy":[58],"calculations":[59],"reconcile":[61],"the":[62,65,71,108,123,141,152,168,174,181],"discrepancy":[63],"in":[64],"binding":[66,72,125,137,153,171,183],"modes.":[67],"We":[68,105,161],"demonstrated":[69],"mode":[73],"based":[74],"solely":[75],"on":[76,119],"a":[77,207],"single":[78,135],"crystal":[79,165],"structure":[80],"does":[81],"not":[82],"enable":[83],"iASPP's":[84],"RT":[85],"loop":[86],"engage":[88],"p53's":[90,188],"C-terminal":[91],"linker-a":[92],"verified":[93],"interaction.":[94,104],"Instead,":[95],"an":[96],"ensemble":[97,143,182,210],"simulated":[99],"iASPP-p53":[100],"complexes":[101,144,184],"facilitates":[102],"showed":[106,179],"ensemble-average":[109,124],"inter-protein":[110],"contacting":[111],"residues":[112,116],"NMR-detected":[114],"interfacial":[115],"qualitatively":[117],"overlap":[118],"ASPP":[120],"proteins,":[121],"energies":[127],"better":[128],"match":[129],"experimental":[130,195],"KD":[131],"values":[132],"compared":[133],"crystallgarphy-determined":[136],"mode.":[138],"For":[139],"iASPP,":[140],"sampled":[142],"can":[145],"be":[146],"grouped":[147],"into":[148],"classes,":[150],"resembling":[151],"modes":[154,172],"determined":[155],"by":[156],"NMR.":[160],"thus":[162],"propose":[163],"packing":[166],"shifts":[167],"equilibrium":[169],"towards":[173],"crystallography-determined":[175],"one.":[176],"Lastly,":[177],"are":[185],"sensitive":[186],"intrinsically":[189],"disordered":[190],"regions":[191],"(IDRs),":[192],"attesting":[193],"observations":[196],"IDRs":[199],"contribute":[200],"biological":[202],"functions.":[203],"Our":[204],"results":[205],"provide":[206],"dynamic":[208],"perspective":[211],"for":[212],"scrutinizing":[213],"important":[215],"cancer-related":[216],"protein-protein":[217],"interactions":[218],"(PPIs).":[219]},"counts_by_year":[],"updated_date":"2026-05-21T06:26:12.895304","created_date":"2025-10-10T00:00:00"}
