{"id":"https://openalex.org/W4415452704","doi":"https://doi.org/10.1021/acs.jcim.5c01639","title":"Dissecting the RAD51\u2013BRC4 Interaction Landscape through Integrative Molecular Simulations and Experimental Biophysics","display_name":"Dissecting the RAD51\u2013BRC4 Interaction Landscape through Integrative Molecular Simulations and Experimental Biophysics","publication_year":2025,"publication_date":"2025-10-22","ids":{"openalex":"https://openalex.org/W4415452704","doi":"https://doi.org/10.1021/acs.jcim.5c01639","pmid":"https://pubmed.ncbi.nlm.nih.gov/41124105"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.5c01639","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5c01639","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"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 Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://doi.org/10.1021/acs.jcim.5c01639","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5092871582","display_name":"Veronica Bresciani","orcid":"https://orcid.org/0009-0003-9625-7643"},"institutions":[{"id":"https://openalex.org/I30771326","display_name":"Italian Institute of Technology","ror":"https://ror.org/042t93s57","country_code":"IT","type":"facility","lineage":["https://openalex.org/I30771326"]},{"id":"https://openalex.org/I4210088961","display_name":"Biotechnology Research Center","ror":"https://ror.org/013t96v18","country_code":"IR","type":"facility","lineage":["https://openalex.org/I163205636","https://openalex.org/I4210088961"]},{"id":"https://openalex.org/I4210138427","display_name":"Computational Physics (United States)","ror":"https://ror.org/03grsxg62","country_code":"US","type":"company","lineage":["https://openalex.org/I4210138427"]},{"id":"https://openalex.org/I9360294","display_name":"University of Bologna","ror":"https://ror.org/01111rn36","country_code":"IT","type":"education","lineage":["https://openalex.org/I9360294"]}],"countries":["IR","IT","US"],"is_corresponding":false,"raw_author_name":"Veronica Bresciani","raw_affiliation_strings":["Alma Mater Studiorum\u2500 Universit\u00e0 di Bologna","Computational and Chemical Biology","Department of Pharmacy and Biotechnology (FABIT)","Istituto Italiano di Tecnologia"],"affiliations":[{"raw_affiliation_string":"Alma Mater Studiorum\u2500 Universit\u00e0 di Bologna","institution_ids":["https://openalex.org/I9360294"]},{"raw_affiliation_string":"Computational and Chemical Biology","institution_ids":["https://openalex.org/I4210138427"]},{"raw_affiliation_string":"Department of Pharmacy and Biotechnology (FABIT)","institution_ids":["https://openalex.org/I4210088961"]},{"raw_affiliation_string":"Istituto Italiano di Tecnologia","institution_ids":["https://openalex.org/I30771326"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5048266949","display_name":"Francesco Rinaldi","orcid":"https://orcid.org/0000-0001-7042-2071"},"institutions":[{"id":"https://openalex.org/I30771326","display_name":"Italian Institute of Technology","ror":"https://ror.org/042t93s57","country_code":"IT","type":"facility","lineage":["https://openalex.org/I30771326"]},{"id":"https://openalex.org/I4210138427","display_name":"Computational Physics (United States)","ror":"https://ror.org/03grsxg62","country_code":"US","type":"company","lineage":["https://openalex.org/I4210138427"]}],"countries":["IT","US"],"is_corresponding":false,"raw_author_name":"Francesco Rinaldi","raw_affiliation_strings":["Computational and Chemical Biology","Istituto Italiano di Tecnologia"],"affiliations":[{"raw_affiliation_string":"Computational and Chemical Biology","institution_ids":["https://openalex.org/I4210138427"]},{"raw_affiliation_string":"Istituto Italiano di Tecnologia","institution_ids":["https://openalex.org/I30771326"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5019667440","display_name":"Pedro Franco","orcid":"https://orcid.org/0000-0002-3148-2319"},"institutions":[{"id":"https://openalex.org/I4210124035","display_name":"Max Planck Institute of Biophysics","ror":"https://ror.org/02panr271","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210124035"]},{"id":"https://openalex.org/I4210127408","display_name":"Max Planck Institute for Brain Research","ror":"https://ror.org/02h1nk258","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210127408"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Pedro Franco","raw_affiliation_strings":["Max Planck Institute for Brain Research, Max-von-Laue-Strasse 4, Frankfurt am Main 60438, Germany","Max Planck Institute of Biophysics, Max-von-Laue-Strasse 3, Frankfurt am Main 60438, Germany"],"affiliations":[{"raw_affiliation_string":"Max Planck Institute for Brain Research, Max-von-Laue-Strasse 4, Frankfurt am Main 60438, Germany","institution_ids":["https://openalex.org/I4210127408"]},{"raw_affiliation_string":"Max Planck Institute of Biophysics, Max-von-Laue-Strasse 3, Frankfurt am Main 60438, Germany","institution_ids":["https://openalex.org/I4210124035"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5018522294","display_name":"Stefania Girotto","orcid":"https://orcid.org/0000-0002-0339-6675"},"institutions":[{"id":"https://openalex.org/I30771326","display_name":"Italian Institute of Technology","ror":"https://ror.org/042t93s57","country_code":"IT","type":"facility","lineage":["https://openalex.org/I30771326"]},{"id":"https://openalex.org/I4210134208","display_name":"Institute of Biophysics","ror":"https://ror.org/034g04n73","country_code":"BG","type":"facility","lineage":["https://openalex.org/I4210134208"]}],"countries":["BG","IT"],"is_corresponding":false,"raw_author_name":"Stefania Girotto","raw_affiliation_strings":["Istituto Italiano di Tecnologia","Structural Biophysics Facility"],"affiliations":[{"raw_affiliation_string":"Istituto Italiano di Tecnologia","institution_ids":["https://openalex.org/I30771326"]},{"raw_affiliation_string":"Structural Biophysics Facility","institution_ids":["https://openalex.org/I4210134208"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5021953983","display_name":"Andrea Cavalli","orcid":"https://orcid.org/0000-0002-6370-1176"},"institutions":[{"id":"https://openalex.org/I30771326","display_name":"Italian Institute of Technology","ror":"https://ror.org/042t93s57","country_code":"IT","type":"facility","lineage":["https://openalex.org/I30771326"]},{"id":"https://openalex.org/I4210088961","display_name":"Biotechnology Research Center","ror":"https://ror.org/013t96v18","country_code":"IR","type":"facility","lineage":["https://openalex.org/I163205636","https://openalex.org/I4210088961"]},{"id":"https://openalex.org/I4210138427","display_name":"Computational Physics (United States)","ror":"https://ror.org/03grsxg62","country_code":"US","type":"company","lineage":["https://openalex.org/I4210138427"]},{"id":"https://openalex.org/I5124864","display_name":"\u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne","ror":"https://ror.org/02s376052","country_code":"CH","type":"education","lineage":["https://openalex.org/I2799323385","https://openalex.org/I5124864"]},{"id":"https://openalex.org/I9360294","display_name":"University of Bologna","ror":"https://ror.org/01111rn36","country_code":"IT","type":"education","lineage":["https://openalex.org/I9360294"]}],"countries":["CH","IR","IT","US"],"is_corresponding":false,"raw_author_name":"Andrea Cavalli","raw_affiliation_strings":["Alma Mater Studiorum\u2500 Universit\u00e0 di Bologna","Centre Europ\u00e9en de Calcul Atomique et Mol\u00e9culaire (CECAM)","Computational and Chemical Biology","Department of Pharmacy and Biotechnology (FABIT)","Ecole Polytechnique F\u00e9d\u00e9rale de Lausanne","Istituto Italiano di Tecnologia"],"affiliations":[{"raw_affiliation_string":"Alma Mater Studiorum\u2500 Universit\u00e0 di Bologna","institution_ids":["https://openalex.org/I9360294"]},{"raw_affiliation_string":"Centre Europ\u00e9en de Calcul Atomique et Mol\u00e9culaire (CECAM)","institution_ids":[]},{"raw_affiliation_string":"Computational and Chemical Biology","institution_ids":["https://openalex.org/I4210138427"]},{"raw_affiliation_string":"Department of Pharmacy and Biotechnology (FABIT)","institution_ids":["https://openalex.org/I4210088961"]},{"raw_affiliation_string":"Ecole Polytechnique F\u00e9d\u00e9rale de Lausanne","institution_ids":["https://openalex.org/I5124864"]},{"raw_affiliation_string":"Istituto Italiano di Tecnologia","institution_ids":["https://openalex.org/I30771326"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5035071340","display_name":"Julian D. Langer","orcid":"https://orcid.org/0000-0002-5190-577X"},"institutions":[{"id":"https://openalex.org/I4210124035","display_name":"Max Planck Institute of Biophysics","ror":"https://ror.org/02panr271","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210124035"]},{"id":"https://openalex.org/I4210127408","display_name":"Max Planck Institute for Brain Research","ror":"https://ror.org/02h1nk258","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210127408"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Julian D. Langer","raw_affiliation_strings":["Max Planck Institute for Brain Research, Max-von-Laue-Strasse 4, Frankfurt am Main 60438, Germany","Max Planck Institute of Biophysics, Max-von-Laue-Strasse 3, Frankfurt am Main 60438, Germany"],"affiliations":[{"raw_affiliation_string":"Max Planck Institute for Brain Research, Max-von-Laue-Strasse 4, Frankfurt am Main 60438, Germany","institution_ids":["https://openalex.org/I4210127408"]},{"raw_affiliation_string":"Max Planck Institute of Biophysics, Max-von-Laue-Strasse 3, Frankfurt am Main 60438, Germany","institution_ids":["https://openalex.org/I4210124035"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5038881721","display_name":"Matteo Masetti","orcid":"https://orcid.org/0000-0002-3757-7802"},"institutions":[{"id":"https://openalex.org/I4210088961","display_name":"Biotechnology Research Center","ror":"https://ror.org/013t96v18","country_code":"IR","type":"facility","lineage":["https://openalex.org/I163205636","https://openalex.org/I4210088961"]},{"id":"https://openalex.org/I9360294","display_name":"University of Bologna","ror":"https://ror.org/01111rn36","country_code":"IT","type":"education","lineage":["https://openalex.org/I9360294"]}],"countries":["IR","IT"],"is_corresponding":true,"raw_author_name":"Matteo Masetti","raw_affiliation_strings":["Alma Mater Studiorum\u2500 Universit\u00e0 di Bologna","Department of Pharmacy and Biotechnology (FABIT)"],"affiliations":[{"raw_affiliation_string":"Alma Mater Studiorum\u2500 Universit\u00e0 di Bologna","institution_ids":["https://openalex.org/I9360294"]},{"raw_affiliation_string":"Department of Pharmacy and Biotechnology (FABIT)","institution_ids":["https://openalex.org/I4210088961"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5082187932","display_name":"Mattia Bernetti","orcid":"https://orcid.org/0000-0002-4373-9310"},"institutions":[{"id":"https://openalex.org/I1279970786","display_name":"Defense Information Systems Agency","ror":"https://ror.org/01xyx5098","country_code":"US","type":"government","lineage":["https://openalex.org/I1279970786","https://openalex.org/I1330347796"]},{"id":"https://openalex.org/I190397597","display_name":"University of Urbino","ror":"https://ror.org/04q4kt073","country_code":"IT","type":"education","lineage":["https://openalex.org/I190397597"]},{"id":"https://openalex.org/I30771326","display_name":"Italian Institute of Technology","ror":"https://ror.org/042t93s57","country_code":"IT","type":"facility","lineage":["https://openalex.org/I30771326"]},{"id":"https://openalex.org/I4210088961","display_name":"Biotechnology Research Center","ror":"https://ror.org/013t96v18","country_code":"IR","type":"facility","lineage":["https://openalex.org/I163205636","https://openalex.org/I4210088961"]},{"id":"https://openalex.org/I4210138427","display_name":"Computational Physics (United States)","ror":"https://ror.org/03grsxg62","country_code":"US","type":"company","lineage":["https://openalex.org/I4210138427"]},{"id":"https://openalex.org/I9360294","display_name":"University of Bologna","ror":"https://ror.org/01111rn36","country_code":"IT","type":"education","lineage":["https://openalex.org/I9360294"]}],"countries":["IR","IT","US"],"is_corresponding":true,"raw_author_name":"Mattia Bernetti","raw_affiliation_strings":["Alma Mater Studiorum\u2500 Universit\u00e0 di Bologna","Computational and Chemical Biology","Department of Biomolecular Sciences (DISB)","Department of Pharmacy and Biotechnology (FABIT)","Istituto Italiano di Tecnologia","Universit\u00e0 degli Studi di Urbino \u201cCarlo Bo\u201d"],"affiliations":[{"raw_affiliation_string":"Alma Mater Studiorum\u2500 Universit\u00e0 di Bologna","institution_ids":["https://openalex.org/I9360294"]},{"raw_affiliation_string":"Computational and Chemical Biology","institution_ids":["https://openalex.org/I4210138427"]},{"raw_affiliation_string":"Department of Biomolecular Sciences (DISB)","institution_ids":["https://openalex.org/I1279970786"]},{"raw_affiliation_string":"Department of Pharmacy and Biotechnology (FABIT)","institution_ids":["https://openalex.org/I4210088961"]},{"raw_affiliation_string":"Istituto Italiano di Tecnologia","institution_ids":["https://openalex.org/I30771326"]},{"raw_affiliation_string":"Universit\u00e0 degli Studi di Urbino \u201cCarlo Bo\u201d","institution_ids":["https://openalex.org/I190397597"]}]}],"institutions":[],"countries_distinct_count":6,"institutions_distinct_count":8,"corresponding_author_ids":["https://openalex.org/A5038881721","https://openalex.org/A5082187932"],"corresponding_institution_ids":["https://openalex.org/I1279970786","https://openalex.org/I190397597","https://openalex.org/I30771326","https://openalex.org/I4210088961","https://openalex.org/I4210138427","https://openalex.org/I9360294"],"apc_list":null,"apc_paid":null,"fwci":0.767,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.76886299,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":95},"biblio":{"volume":"65","issue":"21","first_page":"11965","last_page":"11978"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10123","display_name":"DNA Repair Mechanisms","score":0.9995999932289124,"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/T10123","display_name":"DNA Repair Mechanisms","score":0.9995999932289124,"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/T10521","display_name":"RNA and protein synthesis mechanisms","score":0.9976999759674072,"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/T11914","display_name":"PARP inhibition in cancer therapy","score":0.9948999881744385,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/rad51","display_name":"RAD51","score":0.8259000182151794},{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.7955999970436096},{"id":"https://openalex.org/keywords/homologous-recombination","display_name":"Homologous recombination","score":0.6050999760627747},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.47620001435279846},{"id":"https://openalex.org/keywords/protein-structure","display_name":"Protein structure","score":0.38040000200271606},{"id":"https://openalex.org/keywords/dna","display_name":"DNA","score":0.3474000096321106},{"id":"https://openalex.org/keywords/molecular-model","display_name":"Molecular model","score":0.3314000070095062},{"id":"https://openalex.org/keywords/protein\u2013protein-interaction","display_name":"Protein\u2013protein interaction","score":0.33009999990463257}],"concepts":[{"id":"https://openalex.org/C2779012473","wikidata":"https://www.wikidata.org/wiki/Q3235015","display_name":"RAD51","level":4,"score":0.8259000182151794},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.7955999970436096},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.6473000049591064},{"id":"https://openalex.org/C102744134","wikidata":"https://www.wikidata.org/wiki/Q22280388","display_name":"Homologous recombination","level":3,"score":0.6050999760627747},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.5171999931335449},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.47620001435279846},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.3982999920845032},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3813999891281128},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.38040000200271606},{"id":"https://openalex.org/C552990157","wikidata":"https://www.wikidata.org/wiki/Q7430","display_name":"DNA","level":2,"score":0.3474000096321106},{"id":"https://openalex.org/C178910836","wikidata":"https://www.wikidata.org/wiki/Q2196961","display_name":"Molecular model","level":2,"score":0.3314000070095062},{"id":"https://openalex.org/C11804247","wikidata":"https://www.wikidata.org/wiki/Q896177","display_name":"Protein\u2013protein interaction","level":2,"score":0.33009999990463257},{"id":"https://openalex.org/C36503486","wikidata":"https://www.wikidata.org/wiki/Q11235244","display_name":"Domain (mathematical analysis)","level":2,"score":0.32850000262260437},{"id":"https://openalex.org/C191120209","wikidata":"https://www.wikidata.org/wiki/Q908902","display_name":"Structural biology","level":2,"score":0.30869999527931213},{"id":"https://openalex.org/C51639874","wikidata":"https://www.wikidata.org/wiki/Q167149","display_name":"Plasma protein binding","level":2,"score":0.2962000072002411},{"id":"https://openalex.org/C2779281246","wikidata":"https://www.wikidata.org/wiki/Q172847","display_name":"Peptide","level":2,"score":0.296099990606308},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.28619998693466187},{"id":"https://openalex.org/C98539663","wikidata":"https://www.wikidata.org/wiki/Q220599","display_name":"Cytosol","level":3,"score":0.2759999930858612},{"id":"https://openalex.org/C95444343","wikidata":"https://www.wikidata.org/wiki/Q7141","display_name":"Cell biology","level":1,"score":0.27549999952316284},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.25459998846054077},{"id":"https://openalex.org/C134935766","wikidata":"https://www.wikidata.org/wiki/Q210538","display_name":"DNA repair","level":3,"score":0.25360000133514404},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.25060001015663147}],"mesh":[{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","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":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D024682","descriptor_name":"BRCA2 Protein","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D024682","descriptor_name":"BRCA2 Protein","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D024682","descriptor_name":"BRCA2 Protein","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D024682","descriptor_name":"BRCA2 Protein","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D024682","descriptor_name":"BRCA2 Protein","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D024682","descriptor_name":"BRCA2 Protein","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D051135","descriptor_name":"Rad51 Recombinase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D051135","descriptor_name":"Rad51 Recombinase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D051135","descriptor_name":"Rad51 Recombinase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D051135","descriptor_name":"Rad51 Recombinase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D051135","descriptor_name":"Rad51 Recombinase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D051135","descriptor_name":"Rad51 Recombinase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":7,"locations":[{"id":"doi:10.1021/acs.jcim.5c01639","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5c01639","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"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 Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:41124105","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/41124105","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":"Journal of chemical information and modeling","raw_type":null},{"id":"pmh:oai:cris.unibo.it:11585/1026206","is_oa":true,"landing_page_url":"https://pubs.acs.org/doi/10.1021/acs.jcim.5c01639","pdf_url":null,"source":{"id":"https://openalex.org/S4306402579","display_name":"Archivio istituzionale della ricerca (Alma Mater Studiorum Universit\u00e0 di Bologna)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210117483","host_organization_name":"Istituto di Ematologia di Bologna","host_organization_lineage":["https://openalex.org/I4210117483"],"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":"info:eu-repo/semantics/article"},{"id":"pmh:oai:europepmc.org:11417875","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/12606624","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"},{"id":"pmh:oai:infoscience.epfl.ch:20.500.14299/255230","is_oa":true,"landing_page_url":"https://infoscience.epfl.ch/handle/20.500.14299/255230","pdf_url":null,"source":{"id":"https://openalex.org/S4306400487","display_name":"Infoscience (Ecole Polytechnique F\u00e9d\u00e9rale de Lausanne)","issn_l":null,"issn":null,"is_oa":true,"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":null,"raw_type":"research article"},{"id":"pmh:oai:pure.mpg.de:item_3676138","is_oa":true,"landing_page_url":"https://hdl.handle.net/21.11116/0000-0012-022E-7","pdf_url":null,"source":{"id":"https://openalex.org/S4306400654","display_name":"MPG.PuRe (Max Planck Society)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I149899117","host_organization_name":"Max Planck Society","host_organization_lineage":["https://openalex.org/I149899117"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:pure.mpg.de:item_3685725","is_oa":false,"landing_page_url":"https://hdl.handle.net/21.11116/0000-0012-50CA-E","pdf_url":null,"source":{"id":"https://openalex.org/S4306400654","display_name":"MPG.PuRe (Max Planck Society)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I149899117","host_organization_name":"Max Planck Society","host_organization_lineage":["https://openalex.org/I149899117"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J. Chem. Inf. Model.","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"doi:10.1021/acs.jcim.5c01639","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5c01639","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"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 Chemical Information and Modeling","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1674110226","display_name":null,"funder_award_id":"21386","funder_id":"https://openalex.org/F4320323054","funder_display_name":"Associazione Italiana per la Ricerca sul Cancro"},{"id":"https://openalex.org/G2599048232","display_name":null,"funder_award_id":"25239","funder_id":"https://openalex.org/F4320323054","funder_display_name":"Associazione Italiana per la Ricerca sul Cancro"},{"id":"https://openalex.org/G3326629491","display_name":null,"funder_award_id":"J33C22001180001","funder_id":"https://openalex.org/F7311471023","funder_display_name":"NextGenerationEU"},{"id":"https://openalex.org/G808103413","display_name":null,"funder_award_id":"J33C22001130001","funder_id":"https://openalex.org/F7311471023","funder_display_name":"NextGenerationEU"}],"funders":[{"id":"https://openalex.org/F4320323054","display_name":"Associazione Italiana per la Ricerca sul Cancro","ror":"https://ror.org/02g2x7380"},{"id":"https://openalex.org/F7311471023","display_name":"NextGenerationEU","ror":null}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":60,"referenced_works":["https://openalex.org/W1615332120","https://openalex.org/W1921676712","https://openalex.org/W1969839636","https://openalex.org/W1972013995","https://openalex.org/W1981225934","https://openalex.org/W1990396628","https://openalex.org/W2032635159","https://openalex.org/W2038210983","https://openalex.org/W2057477511","https://openalex.org/W2063908062","https://openalex.org/W2066690664","https://openalex.org/W2068306188","https://openalex.org/W2073900740","https://openalex.org/W2078409719","https://openalex.org/W2083292092","https://openalex.org/W2103111465","https://openalex.org/W2119267663","https://openalex.org/W2129762799","https://openalex.org/W2136470366","https://openalex.org/W2140036600","https://openalex.org/W2146411229","https://openalex.org/W2147988069","https://openalex.org/W2149326807","https://openalex.org/W2149655632","https://openalex.org/W2170146374","https://openalex.org/W2315961248","https://openalex.org/W2544360569","https://openalex.org/W2565681129","https://openalex.org/W2570104014","https://openalex.org/W2747992112","https://openalex.org/W2784103526","https://openalex.org/W2793913949","https://openalex.org/W2883596424","https://openalex.org/W2885193379","https://openalex.org/W2951476661","https://openalex.org/W2955620588","https://openalex.org/W2968494487","https://openalex.org/W2970740744","https://openalex.org/W2989052455","https://openalex.org/W2999819588","https://openalex.org/W3003257820","https://openalex.org/W3034587134","https://openalex.org/W3035076119","https://openalex.org/W3087060430","https://openalex.org/W3090065495","https://openalex.org/W3102022293","https://openalex.org/W3105643282","https://openalex.org/W3105916964","https://openalex.org/W3108410359","https://openalex.org/W3136287525","https://openalex.org/W3177828909","https://openalex.org/W4288447574","https://openalex.org/W4376288663","https://openalex.org/W4388314297","https://openalex.org/W4388341997","https://openalex.org/W4392984774","https://openalex.org/W4399796432","https://openalex.org/W4400224178","https://openalex.org/W4401505265","https://openalex.org/W4401833821"],"related_works":[],"abstract_inverted_index":{"The":[0,34],"interaction":[1,35],"between":[2,36,153,183],"the":[3,37,43,52,58,73,81,99,130,145,151,154,170,176,181],"RAD51":[4,23,44,56,69,106,155],"and":[5,42,93,117,139,142,157],"BRCA2":[6,74],"proteins":[7],"is":[8,78,134],"central":[9],"to":[10,97],"homologous":[11],"recombination":[12],"(HR),":[13],"a":[14,135],"crucial":[15,83],"pathway":[16],"ensuring":[17],"high-fidelity":[18],"DNA":[19],"repair.":[20],"Recruitment":[21],"of":[22,54,67,80,137,147],"involves":[24],"eight":[25],"highly":[26],"conserved":[27],"regions":[28],"on":[29,175],"BRCA2,":[30],"named":[31],"BRC":[32,39,75],"repeats.":[33],"fourth":[38],"repeat":[40],"(BRC4)":[41],"<i>C</i>-terminal":[45],"domain":[46],"has":[47],"been":[48],"structurally":[49],"characterized,":[50],"while":[51,187],"complex":[53,108,133,160],"full-length":[55,105,131],"with":[57,109,122],"peptide":[59],"remains":[60],"elusive.":[61],"This":[62],"gap":[63],"limits":[64],"our":[65],"understanding":[66],"cytosolic":[68],"recruitment":[70],"driven":[71],"by":[72],"repeats,":[76],"which":[77],"one":[79],"first":[82],"steps":[84],"in":[85,94,102,107],"HR.":[86],"Here,":[87],"we":[88],"report":[89],"an":[90],"integrative":[91],"experimental":[92],"silico":[95],"approach":[96],"reconstruct":[98],"conformational":[100,161],"ensemble":[101],"solution":[103],"for":[104,144,191],"BRC4.":[110],"We":[111],"combined":[112],"AlphaFold2,":[113],"cross-linking":[114],"mass":[115],"spectrometry,":[116],"small-angle":[118],"X-ray":[119],"scattering":[120],"data":[121],"molecular":[123,177],"dynamics":[124],"simulations.":[125],"Our":[126,163],"results":[127],"show":[128],"that":[129,179],"RAD51-BRC4":[132,171],"mixture":[136],"compact":[138],"elongated":[140],"conformations":[141],"allow":[143],"identification":[146],"key":[148],"residues":[149],"at":[150],"interface":[152],"<i>N</i>-terminus":[156],"BRC4,":[158],"mediating":[159],"dynamics.":[162],"evidence":[164],"provides":[165],"robust":[166],"atomic-level":[167],"insights":[168],"into":[169],"interaction,":[172],"shedding":[173],"light":[174],"features":[178],"govern":[180],"recognition":[182],"these":[184],"two":[185],"proteins,":[186],"unveiling":[188],"novel":[189,193],"hotspots":[190],"developing":[192],"anticancer":[194],"agents.":[195]},"counts_by_year":[{"year":2025,"cited_by_count":1}],"updated_date":"2026-04-09T08:11:56.329763","created_date":"2025-10-23T00:00:00"}