{"id":"https://openalex.org/W7135021859","doi":"https://doi.org/10.1021/acs.jcim.5c02999","title":"Molecular Dynamics Simulations Provide Further Insights into the Allosteric Regulation of the Kinesin-5 Motor Domain by Loop 5","display_name":"Molecular Dynamics Simulations Provide Further Insights into the Allosteric Regulation of the Kinesin-5 Motor Domain by Loop 5","publication_year":2026,"publication_date":"2026-03-12","ids":{"openalex":"https://openalex.org/W7135021859","doi":"https://doi.org/10.1021/acs.jcim.5c02999","pmid":"https://pubmed.ncbi.nlm.nih.gov/41814962"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.5c02999","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5c02999","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.5c02999","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5128885014","display_name":"Gabriel Rodr\u00edguez-Santos","orcid":null},"institutions":[{"id":"https://openalex.org/I184999862","display_name":"Universidad de Salamanca","ror":"https://ror.org/02f40zc51","country_code":"ES","type":"education","lineage":["https://openalex.org/I184999862"]},{"id":"https://openalex.org/I4210134045","display_name":"Instituto de Investigaci\u00f3n Biom\u00e9dica de Salamanca","ror":"https://ror.org/03em6xj44","country_code":"ES","type":"facility","lineage":["https://openalex.org/I184999862","https://openalex.org/I184999862","https://openalex.org/I4210099034","https://openalex.org/I4210134045"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Gabriel Rodr\u00edguez-Santos","raw_affiliation_strings":["Pharmaceutical Sciences Department, Pharmaceutical Chemistry Unit, University of Salamanca, Biomedical Research Institute of Salamanca (IBSAL), C/Licenciado M\u00e9ndez Nieto s/n, Salamanca 37007, Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Pharmaceutical Sciences Department, Pharmaceutical Chemistry Unit, University of Salamanca, Biomedical Research Institute of Salamanca (IBSAL), C/Licenciado M\u00e9ndez Nieto s/n, Salamanca 37007, Spain","institution_ids":["https://openalex.org/I184999862","https://openalex.org/I4210134045"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5087518422","display_name":"Giorgio Bonollo","orcid":null},"institutions":[{"id":"https://openalex.org/I25217355","display_name":"University of Pavia","ror":"https://ror.org/00s6t1f81","country_code":"IT","type":"education","lineage":["https://openalex.org/I25217355"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Giorgio Bonollo","raw_affiliation_strings":["Chemistry Department, University of Pavia, via Torquato Taramelli 12, Pavia 27100, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemistry Department, University of Pavia, via Torquato Taramelli 12, Pavia 27100, Italy","institution_ids":["https://openalex.org/I25217355"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5104972222","display_name":"Cristiano Sciva","orcid":null},"institutions":[{"id":"https://openalex.org/I25217355","display_name":"University of Pavia","ror":"https://ror.org/00s6t1f81","country_code":"IT","type":"education","lineage":["https://openalex.org/I25217355"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Cristiano Sciva","raw_affiliation_strings":["Chemistry Department, University of Pavia, via Torquato Taramelli 12, Pavia 27100, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemistry Department, University of Pavia, via Torquato Taramelli 12, Pavia 27100, Italy","institution_ids":["https://openalex.org/I25217355"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5128821258","display_name":"Giorgio Colombo","orcid":null},"institutions":[{"id":"https://openalex.org/I25217355","display_name":"University of Pavia","ror":"https://ror.org/00s6t1f81","country_code":"IT","type":"education","lineage":["https://openalex.org/I25217355"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Giorgio Colombo","raw_affiliation_strings":["Chemistry Department, University of Pavia, via Torquato Taramelli 12, Pavia 27100, Italy"],"raw_orcid":"https://orcid.org/0000-0002-1318-668X","affiliations":[{"raw_affiliation_string":"Chemistry Department, University of Pavia, via Torquato Taramelli 12, Pavia 27100, Italy","institution_ids":["https://openalex.org/I25217355"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5128864820","display_name":"Concepci\u00f3n P\u00e9rez-Melero","orcid":null},"institutions":[{"id":"https://openalex.org/I184999862","display_name":"Universidad de Salamanca","ror":"https://ror.org/02f40zc51","country_code":"ES","type":"education","lineage":["https://openalex.org/I184999862"]},{"id":"https://openalex.org/I4210134045","display_name":"Instituto de Investigaci\u00f3n Biom\u00e9dica de Salamanca","ror":"https://ror.org/03em6xj44","country_code":"ES","type":"facility","lineage":["https://openalex.org/I184999862","https://openalex.org/I184999862","https://openalex.org/I4210099034","https://openalex.org/I4210134045"]}],"countries":["ES"],"is_corresponding":true,"raw_author_name":"Concepci\u00f3n P\u00e9rez-Melero","raw_affiliation_strings":["Pharmaceutical Sciences Department, Pharmaceutical Chemistry Unit, University of Salamanca, Biomedical Research Institute of Salamanca (IBSAL), C/Licenciado M\u00e9ndez Nieto s/n, Salamanca 37007, Spain","Tropical Diseases Research Centre, University of Salamanca (CIETUS), C/Licenciado M\u00e9ndez Nieto s/n, 37007 Salamanca, Spain"],"raw_orcid":"https://orcid.org/0000-0002-6791-7927","affiliations":[{"raw_affiliation_string":"Pharmaceutical Sciences Department, Pharmaceutical Chemistry Unit, University of Salamanca, Biomedical Research Institute of Salamanca (IBSAL), C/Licenciado M\u00e9ndez Nieto s/n, Salamanca 37007, Spain","institution_ids":["https://openalex.org/I184999862","https://openalex.org/I4210134045"]},{"raw_affiliation_string":"Tropical Diseases Research Centre, University of Salamanca (CIETUS), C/Licenciado M\u00e9ndez Nieto s/n, 37007 Salamanca, Spain","institution_ids":["https://openalex.org/I184999862"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5087676999","display_name":"Stefano A. Serapian","orcid":"https://orcid.org/0000-0003-0122-8499"},"institutions":[{"id":"https://openalex.org/I25217355","display_name":"University of Pavia","ror":"https://ror.org/00s6t1f81","country_code":"IT","type":"education","lineage":["https://openalex.org/I25217355"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"Stefano A. Serapian","raw_affiliation_strings":["Chemistry Department, University of Pavia, via Torquato Taramelli 12, Pavia 27100, Italy"],"raw_orcid":"https://orcid.org/0000-0003-0122-8499","affiliations":[{"raw_affiliation_string":"Chemistry Department, University of Pavia, via Torquato Taramelli 12, Pavia 27100, Italy","institution_ids":["https://openalex.org/I25217355"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5087676999","https://openalex.org/A5128864820"],"corresponding_institution_ids":["https://openalex.org/I184999862","https://openalex.org/I25217355","https://openalex.org/I4210134045"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.51761646,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"66","issue":"7","first_page":"4101","last_page":"4115"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10492","display_name":"Microtubule and mitosis dynamics","score":0.9990000128746033,"subfield":{"id":"https://openalex.org/subfields/1307","display_name":"Cell 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/T10492","display_name":"Microtubule and mitosis dynamics","score":0.9990000128746033,"subfield":{"id":"https://openalex.org/subfields/1307","display_name":"Cell 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/T10578","display_name":"Supramolecular Chemistry and Complexes","score":9.999999747378752e-05,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11841","display_name":"Nuclear Structure and Function","score":9.999999747378752e-05,"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/allosteric-regulation","display_name":"Allosteric regulation","score":0.9617999792098999},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.6650000214576721},{"id":"https://openalex.org/keywords/molecular-motor","display_name":"Molecular motor","score":0.5385000109672546},{"id":"https://openalex.org/keywords/allosteric-enzyme","display_name":"Allosteric enzyme","score":0.5133000016212463},{"id":"https://openalex.org/keywords/motor-protein","display_name":"Motor protein","score":0.4602000117301941},{"id":"https://openalex.org/keywords/domain","display_name":"Domain (mathematical analysis)","score":0.42340001463890076},{"id":"https://openalex.org/keywords/protein-structure","display_name":"Protein structure","score":0.4221000075340271},{"id":"https://openalex.org/keywords/nucleotide","display_name":"Nucleotide","score":0.41269999742507935}],"concepts":[{"id":"https://openalex.org/C166342909","wikidata":"https://www.wikidata.org/wiki/Q845326","display_name":"Allosteric regulation","level":3,"score":0.9617999792098999},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.6650000214576721},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.573199987411499},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.545799970626831},{"id":"https://openalex.org/C160408235","wikidata":"https://www.wikidata.org/wiki/Q423905","display_name":"Molecular motor","level":2,"score":0.5385000109672546},{"id":"https://openalex.org/C109964505","wikidata":"https://www.wikidata.org/wiki/Q3321436","display_name":"Allosteric enzyme","level":4,"score":0.5133000016212463},{"id":"https://openalex.org/C93126451","wikidata":"https://www.wikidata.org/wiki/Q2383767","display_name":"Motor protein","level":3,"score":0.4602000117301941},{"id":"https://openalex.org/C36503486","wikidata":"https://www.wikidata.org/wiki/Q11235244","display_name":"Domain (mathematical analysis)","level":2,"score":0.42340001463890076},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.4221000075340271},{"id":"https://openalex.org/C512185932","wikidata":"https://www.wikidata.org/wiki/Q28745","display_name":"Nucleotide","level":3,"score":0.41269999742507935},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.39730000495910645},{"id":"https://openalex.org/C51639874","wikidata":"https://www.wikidata.org/wiki/Q167149","display_name":"Plasma protein binding","level":2,"score":0.3926999866962433},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.3865000009536743},{"id":"https://openalex.org/C20418707","wikidata":"https://www.wikidata.org/wiki/Q189933","display_name":"Microtubule","level":2,"score":0.3702999949455261},{"id":"https://openalex.org/C184670325","wikidata":"https://www.wikidata.org/wiki/Q512604","display_name":"Loop (graph theory)","level":2,"score":0.3644999861717224},{"id":"https://openalex.org/C191120209","wikidata":"https://www.wikidata.org/wiki/Q908902","display_name":"Structural biology","level":2,"score":0.34389999508857727},{"id":"https://openalex.org/C2780283098","wikidata":"https://www.wikidata.org/wiki/Q4688960","display_name":"Affinities","level":2,"score":0.32659998536109924},{"id":"https://openalex.org/C175634916","wikidata":"https://www.wikidata.org/wiki/Q17075777","display_name":"Potential of mean force","level":3,"score":0.3086000084877014},{"id":"https://openalex.org/C144292202","wikidata":"https://www.wikidata.org/wiki/Q898273","display_name":"Protein domain","level":3,"score":0.28610000014305115},{"id":"https://openalex.org/C25166345","wikidata":"https://www.wikidata.org/wiki/Q4914012","display_name":"Binding domain","level":3,"score":0.2678000032901764},{"id":"https://openalex.org/C113027372","wikidata":"https://www.wikidata.org/wiki/Q24768350","display_name":"Cyclic nucleotide-binding domain","level":4,"score":0.2651999890804291},{"id":"https://openalex.org/C161624437","wikidata":"https://www.wikidata.org/wiki/Q1988322","display_name":"Small molecule","level":2,"score":0.25999999046325684},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.25440001487731934},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.2531999945640564}],"mesh":[{"descriptor_ui":"D000072417","descriptor_name":"Protein Domains","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000072417","descriptor_name":"Protein Domains","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000244","descriptor_name":"Adenosine Diphosphate","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000244","descriptor_name":"Adenosine Diphosphate","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000244","descriptor_name":"Adenosine Diphosphate","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000244","descriptor_name":"Adenosine Diphosphate","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000255","descriptor_name":"Adenosine Triphosphate","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000255","descriptor_name":"Adenosine Triphosphate","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000494","descriptor_name":"Allosteric Regulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000494","descriptor_name":"Allosteric Regulation","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":"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":"D016547","descriptor_name":"Kinesins","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":true},{"descriptor_ui":"D016547","descriptor_name":"Kinesins","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":true},{"descriptor_ui":"D016547","descriptor_name":"Kinesins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D016547","descriptor_name":"Kinesins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D016547","descriptor_name":"Kinesins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D016547","descriptor_name":"Kinesins","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}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.5c02999","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5c02999","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:41814962","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/41814962","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:pubmedcentral.nih.gov:13080997","is_oa":true,"landing_page_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC13080997/","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":"J Chem Inf Model","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1021/acs.jcim.5c02999","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5c02999","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":[{"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being","score":0.7541928887367249}],"awards":[{"id":"https://openalex.org/G1574458879","display_name":null,"funder_award_id":"27139","funder_id":"https://openalex.org/F4320323054","funder_display_name":"Associazione Italiana per la Ricerca sul Cancro"},{"id":"https://openalex.org/G8136781778","display_name":null,"funder_award_id":"EDU/1009/2024","funder_id":"https://openalex.org/F4320328351","funder_display_name":"Junta de Castilla y Le\u00f3n"}],"funders":[{"id":"https://openalex.org/F4320323054","display_name":"Associazione Italiana per la Ricerca sul Cancro","ror":"https://ror.org/02g2x7380"},{"id":"https://openalex.org/F4320328351","display_name":"Junta de Castilla y Le\u00f3n","ror":"https://ror.org/02s8dab97"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":93,"referenced_works":["https://openalex.org/W1480853534","https://openalex.org/W1509047871","https://openalex.org/W1557597605","https://openalex.org/W1915224590","https://openalex.org/W1963665010","https://openalex.org/W1964258277","https://openalex.org/W1976499671","https://openalex.org/W1979730382","https://openalex.org/W1981225934","https://openalex.org/W1991667171","https://openalex.org/W2001192113","https://openalex.org/W2004059254","https://openalex.org/W2004349079","https://openalex.org/W2004568111","https://openalex.org/W2008689390","https://openalex.org/W2009018090","https://openalex.org/W2019551155","https://openalex.org/W2019912010","https://openalex.org/W2023271753","https://openalex.org/W2025439653","https://openalex.org/W2028383422","https://openalex.org/W2031137786","https://openalex.org/W2034119823","https://openalex.org/W2035472375","https://openalex.org/W2039949136","https://openalex.org/W2046546361","https://openalex.org/W2052453216","https://openalex.org/W2059800534","https://openalex.org/W2060018494","https://openalex.org/W2064986217","https://openalex.org/W2065283382","https://openalex.org/W2065847664","https://openalex.org/W2068118509","https://openalex.org/W2070253705","https://openalex.org/W2070712030","https://openalex.org/W2081447681","https://openalex.org/W2082335806","https://openalex.org/W2099687412","https://openalex.org/W2106140689","https://openalex.org/W2107029002","https://openalex.org/W2116892749","https://openalex.org/W2143981217","https://openalex.org/W2147993766","https://openalex.org/W2148159864","https://openalex.org/W2154782261","https://openalex.org/W2197499705","https://openalex.org/W2253382748","https://openalex.org/W2313646154","https://openalex.org/W2325423092","https://openalex.org/W2330799739","https://openalex.org/W2332437113","https://openalex.org/W2404280981","https://openalex.org/W2413284307","https://openalex.org/W2472301418","https://openalex.org/W2583253518","https://openalex.org/W2587285633","https://openalex.org/W2800697076","https://openalex.org/W2888622058","https://openalex.org/W2891078642","https://openalex.org/W2899110998","https://openalex.org/W2910539341","https://openalex.org/W2938962921","https://openalex.org/W2954548718","https://openalex.org/W2954660483","https://openalex.org/W2971936158","https://openalex.org/W3002484703","https://openalex.org/W3007339000","https://openalex.org/W3021363784","https://openalex.org/W3033645067","https://openalex.org/W3041648939","https://openalex.org/W3080100106","https://openalex.org/W3111622919","https://openalex.org/W3120149295","https://openalex.org/W3125230698","https://openalex.org/W3156899852","https://openalex.org/W3159658612","https://openalex.org/W3160215389","https://openalex.org/W3187734842","https://openalex.org/W4281921772","https://openalex.org/W4283214472","https://openalex.org/W4283795836","https://openalex.org/W4291289967","https://openalex.org/W4387440676","https://openalex.org/W4388630765","https://openalex.org/W4390004956","https://openalex.org/W4392343376","https://openalex.org/W4393389196","https://openalex.org/W4394927784","https://openalex.org/W4396572502","https://openalex.org/W4413108786","https://openalex.org/W4413243259","https://openalex.org/W4415082878","https://openalex.org/W4415154720"],"related_works":[],"abstract_inverted_index":{"methods":[0],"to":[1,27,88,99],"compare":[2],"and":[3,32,50,53,72,84,175],"contrast":[4],"allosteric":[5,131],"connections":[6,132],"across":[7],"different":[8],"parts":[9],"of":[10,16,39,119,127,140,149,165,169],"the":[11,17,29,33,37,48,58,63,66,79,92,100,125,146,152,166],"motor":[12],"domain":[13],"in":[14,47,57,78,171],"each":[15],"four":[18],"states.":[19],"Simulations":[20],"show":[21],"that":[22,65,73,105,112],"L5":[23,41,67,93,106,155,170,177],"is":[24,70,136],"allosterically":[25],"connected":[26],"both":[28],"nucleotide-binding":[30],"site":[31],"kinesin-5-microtubule":[34],"interface.":[35],"In":[36],"absence":[38],"inhibitor,":[40],"alternates":[42],"between":[43],"a":[44,137,162],"\"docked\"":[45],"conformation":[46,56,111],"ATP":[49],"apo":[51],"states":[52],"an":[54,109],"\"undocked\"":[55],"ADP":[59,80,101,114],"state.":[60,81],"This":[61,143],"supports":[62],"idea":[64],"binding":[68,75],"pocket":[69],"cryptic":[71],"inhibitor":[74],"takes":[76],"place":[77],"Residues":[82],"Trp127":[83],"Tyr211":[85],"were":[86],"found":[87,104],"be":[89],"crucial":[90,138],"for":[91,151],"conformational":[94],"alternation.":[95],"Once":[96],"filanesib":[97,122,128],"binds":[98],"form,":[102],"we":[103],"stabilizes":[107],"into":[108],"ATP-like":[110],"prevents":[113],"release,":[115],"possibly":[116],"via":[117],"sequestration":[118],"Glu118":[120],"by":[121],"itself.":[123],"Additionally,":[124],"presence":[126],"intensifies":[129],"anomalous":[130],"with":[133],"L8,":[134],"which":[135],"mediator":[139],"microtubule":[141,153],"binding.":[142],"could":[144],"explain":[145],"low":[147],"affinity":[148],"kinesin-5":[150,173],"when":[154],"inhibitors":[156,178],"are":[157],"present.":[158],"Our":[159],"findings":[160],"allow":[161],"deeper":[163],"understanding":[164],"key":[167],"role":[168],"regulating":[172],"activity":[174],"how":[176],"can":[179],"achieve":[180],"its":[181],"disruption.":[182]},"counts_by_year":[],"updated_date":"2026-04-28T14:05:53.105641","created_date":"2026-03-13T00:00:00"}