{"id":"https://openalex.org/W2605280320","doi":"https://doi.org/10.1371/journal.pcbi.1005468","title":"Role of non-native electrostatic interactions in the coupled folding and binding of PUMA with Mcl-1","display_name":"Role of non-native electrostatic interactions in the coupled folding and binding of PUMA with Mcl-1","publication_year":2017,"publication_date":"2017-04-03","ids":{"openalex":"https://openalex.org/W2605280320","doi":"https://doi.org/10.1371/journal.pcbi.1005468","mag":"2605280320","pmid":"https://pubmed.ncbi.nlm.nih.gov/28369057"},"language":"en","primary_location":{"id":"doi:10.1371/journal.pcbi.1005468","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1005468","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1005468&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","datacite","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1005468&type=printable","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5084262985","display_name":"Wen\u2010Ting Chu","orcid":"https://orcid.org/0000-0002-3377-389X"},"institutions":[{"id":"https://openalex.org/I4210092888","display_name":"Changchun Institute of Applied Chemistry","ror":"https://ror.org/00h52n341","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210092888"]},{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"funder","lineage":["https://openalex.org/I19820366"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Wen-Ting Chu","raw_affiliation_strings":["State Key Laboratory of Electroanalytical Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun, Jilin, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"State Key Laboratory of Electroanalytical Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun, Jilin, China","institution_ids":["https://openalex.org/I4210092888","https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5020633703","display_name":"Jane Clarke","orcid":"https://orcid.org/0000-0002-7921-900X"},"institutions":[{"id":"https://openalex.org/I241749","display_name":"University of Cambridge","ror":"https://ror.org/013meh722","country_code":"GB","type":"education","lineage":["https://openalex.org/I241749"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Jane Clarke","raw_affiliation_strings":["Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, United Kingdom"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, United Kingdom","institution_ids":["https://openalex.org/I241749"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5090806154","display_name":"Sarah L. Shammas","orcid":"https://orcid.org/0000-0003-4489-140X"},"institutions":[{"id":"https://openalex.org/I40120149","display_name":"University of Oxford","ror":"https://ror.org/052gg0110","country_code":"GB","type":"education","lineage":["https://openalex.org/I40120149"]},{"id":"https://openalex.org/I241749","display_name":"University of Cambridge","ror":"https://ror.org/013meh722","country_code":"GB","type":"education","lineage":["https://openalex.org/I241749"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Sarah L. Shammas","raw_affiliation_strings":["Department of Biochemistry, University of Oxford, South Parks Road, Oxford, United Kingdom","Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, United Kingdom"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biochemistry, University of Oxford, South Parks Road, Oxford, United Kingdom","institution_ids":["https://openalex.org/I40120149"]},{"raw_affiliation_string":"Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, United Kingdom","institution_ids":["https://openalex.org/I241749"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5100346147","display_name":"Jin Wang","orcid":"https://orcid.org/0000-0002-2841-4913"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"funder","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210092888","display_name":"Changchun Institute of Applied Chemistry","ror":"https://ror.org/00h52n341","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210092888"]},{"id":"https://openalex.org/I59553526","display_name":"Stony Brook University","ror":"https://ror.org/05qghxh33","country_code":"US","type":"education","lineage":["https://openalex.org/I59553526"]},{"id":"https://openalex.org/I1327163397","display_name":"State University of New York","ror":"https://ror.org/01q1z8k08","country_code":"US","type":"education","lineage":["https://openalex.org/I1327163397"]}],"countries":["CN","US"],"is_corresponding":true,"raw_author_name":"Jin Wang","raw_affiliation_strings":["Department of Chemistry & Physics, State University of New York at Stony Brook, Stony Brook, New York, United States of America","State Key Laboratory of Electroanalytical Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun, Jilin, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry & Physics, State University of New York at Stony Brook, Stony Brook, New York, United States of America","institution_ids":["https://openalex.org/I59553526","https://openalex.org/I1327163397"]},{"raw_affiliation_string":"State Key Laboratory of Electroanalytical Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun, Jilin, China","institution_ids":["https://openalex.org/I4210092888","https://openalex.org/I19820366"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5090806154","https://openalex.org/A5100346147"],"corresponding_institution_ids":["https://openalex.org/I1327163397","https://openalex.org/I19820366","https://openalex.org/I241749","https://openalex.org/I40120149","https://openalex.org/I4210092888","https://openalex.org/I59553526"],"apc_list":{"value":2655,"currency":"USD","value_usd":2655},"apc_paid":{"value":2410,"currency":"EUR","value_usd":2599},"fwci":2.5795,"has_fulltext":true,"cited_by_count":38,"citation_normalized_percentile":{"value":0.90209402,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"13","issue":"4","first_page":"e1005468","last_page":"e1005468"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9998999834060669,"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":0.9998999834060669,"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/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/T11152","display_name":"Stochastic processes and statistical mechanics","score":0.9793999791145325,"subfield":{"id":"https://openalex.org/subfields/2610","display_name":"Mathematical Physics"},"field":{"id":"https://openalex.org/fields/26","display_name":"Mathematics"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/puma","display_name":"Puma","score":0.7257511615753174},{"id":"https://openalex.org/keywords/intramolecular-force","display_name":"Intramolecular force","score":0.6679413318634033},{"id":"https://openalex.org/keywords/electrostatics","display_name":"Electrostatics","score":0.66224205493927},{"id":"https://openalex.org/keywords/static-electricity","display_name":"Static electricity","score":0.6097440719604492},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5560351610183716},{"id":"https://openalex.org/keywords/folding","display_name":"Folding (DSP implementation)","score":0.5347349643707275},{"id":"https://openalex.org/keywords/intermolecular-force","display_name":"Intermolecular force","score":0.512603223323822},{"id":"https://openalex.org/keywords/binding-site","display_name":"Binding site","score":0.511352002620697},{"id":"https://openalex.org/keywords/binding-energy","display_name":"Binding energy","score":0.5107486248016357},{"id":"https://openalex.org/keywords/chemical-physics","display_name":"Chemical physics","score":0.5000765323638916},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.4959467351436615},{"id":"https://openalex.org/keywords/plasma-protein-binding","display_name":"Plasma protein binding","score":0.43125343322753906},{"id":"https://openalex.org/keywords/protein-folding","display_name":"Protein folding","score":0.43093228340148926},{"id":"https://openalex.org/keywords/intrinsically-disordered-proteins","display_name":"Intrinsically disordered proteins","score":0.41481250524520874},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.22730496525764465},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.15774637460708618},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.14814525842666626},{"id":"https://openalex.org/keywords/atomic-physics","display_name":"Atomic physics","score":0.11480176448822021},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.10441741347312927},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.09696042537689209}],"concepts":[{"id":"https://openalex.org/C2777417711","wikidata":"https://www.wikidata.org/wiki/Q270748","display_name":"Puma","level":3,"score":0.7257511615753174},{"id":"https://openalex.org/C75079739","wikidata":"https://www.wikidata.org/wiki/Q1571801","display_name":"Intramolecular force","level":2,"score":0.6679413318634033},{"id":"https://openalex.org/C117626034","wikidata":"https://www.wikidata.org/wiki/Q26336","display_name":"Electrostatics","level":2,"score":0.66224205493927},{"id":"https://openalex.org/C87716614","wikidata":"https://www.wikidata.org/wiki/Q845744","display_name":"Static electricity","level":2,"score":0.6097440719604492},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5560351610183716},{"id":"https://openalex.org/C2776545253","wikidata":"https://www.wikidata.org/wiki/Q5464292","display_name":"Folding (DSP implementation)","level":2,"score":0.5347349643707275},{"id":"https://openalex.org/C166950319","wikidata":"https://www.wikidata.org/wiki/Q245031","display_name":"Intermolecular force","level":3,"score":0.512603223323822},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.511352002620697},{"id":"https://openalex.org/C93282013","wikidata":"https://www.wikidata.org/wiki/Q420754","display_name":"Binding energy","level":2,"score":0.5107486248016357},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.5000765323638916},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.4959467351436615},{"id":"https://openalex.org/C51639874","wikidata":"https://www.wikidata.org/wiki/Q167149","display_name":"Plasma protein binding","level":2,"score":0.43125343322753906},{"id":"https://openalex.org/C204328495","wikidata":"https://www.wikidata.org/wiki/Q847556","display_name":"Protein folding","level":2,"score":0.43093228340148926},{"id":"https://openalex.org/C2778815515","wikidata":"https://www.wikidata.org/wiki/Q3408242","display_name":"Intrinsically disordered proteins","level":2,"score":0.41481250524520874},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.22730496525764465},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.15774637460708618},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.14814525842666626},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.11480176448822021},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.10441741347312927},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.09696042537689209},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.0},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"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/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C119599485","wikidata":"https://www.wikidata.org/wiki/Q43035","display_name":"Electrical engineering","level":1,"score":0.0}],"mesh":[{"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":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","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":false},{"descriptor_ui":"D017510","descriptor_name":"Protein Folding","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":false},{"descriptor_ui":"D017510","descriptor_name":"Protein Folding","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":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D025521","descriptor_name":"Tumor Suppressor Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D025521","descriptor_name":"Tumor Suppressor Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D025521","descriptor_name":"Tumor Suppressor Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D025521","descriptor_name":"Tumor Suppressor Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D025521","descriptor_name":"Tumor Suppressor Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D025521","descriptor_name":"Tumor Suppressor Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D025521","descriptor_name":"Tumor Suppressor Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D025521","descriptor_name":"Tumor Suppressor Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D025521","descriptor_name":"Tumor Suppressor Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D025521","descriptor_name":"Tumor Suppressor Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D051017","descriptor_name":"Apoptosis Regulatory Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D051017","descriptor_name":"Apoptosis Regulatory Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D051017","descriptor_name":"Apoptosis Regulatory Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D051017","descriptor_name":"Apoptosis Regulatory Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D051017","descriptor_name":"Apoptosis Regulatory Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","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},{"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":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D064267","descriptor_name":"Intrinsically Disordered Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D064267","descriptor_name":"Intrinsically Disordered Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D064267","descriptor_name":"Intrinsically Disordered Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D064267","descriptor_name":"Intrinsically Disordered Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D064267","descriptor_name":"Intrinsically Disordered Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D064267","descriptor_name":"Intrinsically Disordered Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D064267","descriptor_name":"Intrinsically Disordered Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D064267","descriptor_name":"Intrinsically Disordered Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D064267","descriptor_name":"Intrinsically Disordered Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D064267","descriptor_name":"Intrinsically Disordered Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D064549","descriptor_name":"Myeloid Cell Leukemia Sequence 1 Protein","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D064549","descriptor_name":"Myeloid Cell Leukemia Sequence 1 Protein","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D064549","descriptor_name":"Myeloid Cell Leukemia Sequence 1 Protein","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D064549","descriptor_name":"Myeloid Cell Leukemia Sequence 1 Protein","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D064549","descriptor_name":"Myeloid Cell Leukemia Sequence 1 Protein","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D064549","descriptor_name":"Myeloid Cell Leukemia Sequence 1 Protein","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D064549","descriptor_name":"Myeloid Cell Leukemia Sequence 1 Protein","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D064549","descriptor_name":"Myeloid Cell Leukemia Sequence 1 Protein","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D064549","descriptor_name":"Myeloid Cell Leukemia Sequence 1 Protein","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D064549","descriptor_name":"Myeloid Cell Leukemia Sequence 1 Protein","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true}],"locations_count":8,"locations":[{"id":"doi:10.1371/journal.pcbi.1005468","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1005468","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1005468&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:28369057","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/28369057","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:doaj.org/article:fe7af712eba249b9857a08df6656f773","is_oa":false,"landing_page_url":"https://doaj.org/article/fe7af712eba249b9857a08df6656f773","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":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"PLoS Computational Biology, Vol 13, Iss 4, p e1005468 (2017)","raw_type":"article"},{"id":"pmh:oai:figshare.com:article/4811611","is_oa":true,"landing_page_url":"https://figshare.com/articles/dataset/Role_of_non-native_electrostatic_interactions_in_the_coupled_folding_and_binding_of_PUMA_with_Mcl-1/4811611","pdf_url":null,"source":{"id":"https://openalex.org/S4377196282","display_name":"Figshare","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210132348","host_organization_name":"Figshare (United Kingdom)","host_organization_lineage":["https://openalex.org/I4210132348"],"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":"","raw_type":"Dataset"},{"id":"pmh:oai:ora.ox.ac.uk:uuid:149aa340-70c2-4a17-83a4-162ef368e5a6","is_oa":true,"landing_page_url":"https://ora.ox.ac.uk/objects/uuid:149aa340-70c2-4a17-83a4-162ef368e5a6","pdf_url":null,"source":{"id":"https://openalex.org/S4306402636","display_name":"Oxford University Research Archive (ORA) (University of Oxford)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I40120149","host_organization_name":"University of Oxford","host_organization_lineage":["https://openalex.org/I40120149"],"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":"","raw_type":"Journal article"},{"id":"pmh:oai:pubmedcentral.nih.gov:5400261","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/5400261","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":"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:www.repository.cam.ac.uk:1810/263619","is_oa":true,"landing_page_url":"https://www.repository.cam.ac.uk/handle/1810/263619","pdf_url":null,"source":{"id":"https://openalex.org/S4306401777","display_name":"Apollo (University of Cambridge)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I241749","host_organization_name":"University of Cambridge","host_organization_lineage":["https://openalex.org/I241749"],"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":"Article"},{"id":"doi:10.17863/cam.8973","is_oa":true,"landing_page_url":"https://doi.org/10.17863/cam.8973","pdf_url":null,"source":{"id":"https://openalex.org/S7407050737","display_name":"Apollo","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":"article-journal"}],"best_oa_location":{"id":"doi:10.1371/journal.pcbi.1005468","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1005468","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1005468&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":[],"awards":[{"id":"https://openalex.org/G1177262765","display_name":null,"funder_award_id":"NSF-MCB-0947767","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G3780865709","display_name":null,"funder_award_id":"21603217","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G3815325011","display_name":null,"funder_award_id":"2016M590268","funder_id":"https://openalex.org/F4320321543","funder_display_name":"China Postdoctoral Science Foundation"},{"id":"https://openalex.org/G3836125441","display_name":null,"funder_award_id":"2013YQ170585","funder_id":"https://openalex.org/F4320321540","funder_display_name":"Ministry of Science and Technology of the People's Republic of China"},{"id":"https://openalex.org/G3931926659","display_name":null,"funder_award_id":"MCB-0947767","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G4869208414","display_name":null,"funder_award_id":"2016YFA0203200","funder_id":"https://openalex.org/F4320321540","funder_display_name":"Ministry of Science and Technology of the People's Republic of China"},{"id":"https://openalex.org/G6526794221","display_name":null,"funder_award_id":"NSF-PHY-76066","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G6927515242","display_name":null,"funder_award_id":"WT095195","funder_id":"https://openalex.org/F4320311904","funder_display_name":"Wellcome Trust"},{"id":"https://openalex.org/G696244729","display_name":null,"funder_award_id":"2016YFA0203200","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G7166241303","display_name":null,"funder_award_id":"PHY-76066","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G8156349892","display_name":null,"funder_award_id":"91430217","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G867833875","display_name":null,"funder_award_id":"91430217","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320311904","display_name":"Wellcome Trust","ror":"https://ror.org/029chgv08"},{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320321540","display_name":"Ministry of Science and Technology of the People's Republic of China","ror":"https://ror.org/027s68j25"},{"id":"https://openalex.org/F4320321543","display_name":"China Postdoctoral Science Foundation","ror":"https://ror.org/0426zh255"},{"id":"https://openalex.org/F4320322174","display_name":"People's Government of Jilin Province","ror":"https://ror.org/02fzqav45"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2605280320.pdf","grobid_xml":"https://content.openalex.org/works/W2605280320.grobid-xml"},"referenced_works_count":64,"referenced_works":["https://openalex.org/W1482701468","https://openalex.org/W1490594935","https://openalex.org/W1536886974","https://openalex.org/W1829960224","https://openalex.org/W1963588433","https://openalex.org/W1968790827","https://openalex.org/W1981369098","https://openalex.org/W1982421433","https://openalex.org/W1984102588","https://openalex.org/W1985581386","https://openalex.org/W1992787746","https://openalex.org/W1993549705","https://openalex.org/W1998367993","https://openalex.org/W2000149219","https://openalex.org/W2000544012","https://openalex.org/W2006192061","https://openalex.org/W2010004274","https://openalex.org/W2015039690","https://openalex.org/W2016170088","https://openalex.org/W2017509211","https://openalex.org/W2017991274","https://openalex.org/W2019216555","https://openalex.org/W2023231003","https://openalex.org/W2025442958","https://openalex.org/W2034299708","https://openalex.org/W2052606462","https://openalex.org/W2056245019","https://openalex.org/W2059947046","https://openalex.org/W2064937772","https://openalex.org/W2065864578","https://openalex.org/W2069599718","https://openalex.org/W2069662497","https://openalex.org/W2076742999","https://openalex.org/W2077761730","https://openalex.org/W2083265479","https://openalex.org/W2088376141","https://openalex.org/W2104710588","https://openalex.org/W2106768806","https://openalex.org/W2112154906","https://openalex.org/W2114823344","https://openalex.org/W2115005877","https://openalex.org/W2115273980","https://openalex.org/W2119693327","https://openalex.org/W2120772039","https://openalex.org/W2125022522","https://openalex.org/W2127134482","https://openalex.org/W2132629607","https://openalex.org/W2132740145","https://openalex.org/W2144562104","https://openalex.org/W2153901755","https://openalex.org/W2159875359","https://openalex.org/W2162445214","https://openalex.org/W2171546617","https://openalex.org/W2234602429","https://openalex.org/W2259725272","https://openalex.org/W2320257314","https://openalex.org/W2326269154","https://openalex.org/W2327000477","https://openalex.org/W2409341474","https://openalex.org/W2416486977","https://openalex.org/W3030183899","https://openalex.org/W4210968583","https://openalex.org/W4244736178","https://openalex.org/W7043571410"],"related_works":["https://openalex.org/W1998649776","https://openalex.org/W2102178032","https://openalex.org/W1989390110","https://openalex.org/W2078159738","https://openalex.org/W4294938701","https://openalex.org/W2142843496","https://openalex.org/W1983384780","https://openalex.org/W2354962446","https://openalex.org/W623440411","https://openalex.org/W2139897190"],"abstract_inverted_index":{"PUMA,":[0],"which":[1,25],"belongs":[2],"to":[3,16,46,85,99,142,190],"the":[4,48,55,58,75,109,135,144,163,171,180,194],"BH3-only":[5],"protein":[6,12],"family,":[7],"is":[8,151],"an":[9,30,41],"intrinsically":[10],"disordered":[11],"(IDP).":[13],"It":[14],"binds":[15],"its":[17,22],"cellular":[18],"partner":[19],"Mcl-1":[20],"through":[21],"BH3":[23],"motif,":[24],"folds":[26],"upon":[27],"binding":[28,67,94,145,181],"into":[29],"\u03b1":[31],"helix.":[32],"We":[33,102,139,169],"have":[34],"applied":[35],"a":[36],"structure-based":[37],"coarse-grained":[38],"model,":[39,45],"with":[40,74,88,97],"explicit":[42],"Debye-H\u00fcckel":[43],"charge":[44],"probe":[47],"importance":[49,173],"of":[50,61,112,134,165,174,183,196],"electrostatic":[51,106,122,128,167,176],"interactions":[52,107,177],"both":[53],"in":[54,125,132,147,159],"early":[56],"and":[57,66,81,83,124,158],"later":[59],"stages":[60],"this":[62],"model":[63,70],"coupled":[64],"folding":[65],"process.":[68],"This":[69],"was":[71],"carefully":[72],"calibrated":[73],"experimental":[76,91,154],"data":[77,92,155],"on":[78,93],"helical":[79],"content":[80],"affinity,":[82],"shown":[84],"be":[86,188],"consistent":[87],"previously":[89],"published":[90],"rate":[95],"changes":[96],"respect":[98],"ionic":[100],"strength.":[101],"find":[103],"that":[104,120],"intramolecular":[105],"influence":[108],"unbound":[110],"states":[111],"PUMA":[113],"only":[114],"marginally.":[115],"Our":[116],"results":[117,195],"further":[118],"suggest":[119],"intermolecular":[121],"interactions,":[123,129],"particular":[126,160],"non-native":[127,166],"are":[130,140],"involved":[131],"formation":[133],"initial":[136],"encounter":[137],"complex.":[138],"able":[141],"reveal":[143],"mechanism":[146],"more":[148],"detail":[149],"than":[150],"possible":[152],"using":[153],"alone":[156],"however,":[157],"we":[161],"uncover":[162],"role":[164],"interactions.":[168],"highlight":[170],"potential":[172],"such":[175],"for":[178,193],"describing":[179],"reactions":[182],"IDPs.":[184],"Such":[185],"approaches":[186],"could":[187],"used":[189],"provide":[191],"predictions":[192],"mutational":[197],"studies.":[198]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":6},{"year":2020,"cited_by_count":6},{"year":2019,"cited_by_count":6},{"year":2018,"cited_by_count":8},{"year":2017,"cited_by_count":3}],"updated_date":"2026-05-06T08:25:59.206177","created_date":"2025-10-10T00:00:00"}
