{"id":"https://openalex.org/W4292622630","doi":"https://doi.org/10.1021/acs.jcim.2c00591","title":"Markov State Models and Molecular Dynamics Simulations Reveal the Conformational Transition of the Intrinsically Disordered Hypervariable Region of K-Ras4B to the Ordered Conformation","display_name":"Markov State Models and Molecular Dynamics Simulations Reveal the Conformational Transition of the Intrinsically Disordered Hypervariable Region of K-Ras4B to the Ordered Conformation","publication_year":2022,"publication_date":"2022-08-22","ids":{"openalex":"https://openalex.org/W4292622630","doi":"https://doi.org/10.1021/acs.jcim.2c00591","pmid":"https://pubmed.ncbi.nlm.nih.gov/35994329"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.2c00591","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.2c00591","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":null,"license_id":null,"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":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5100396936","display_name":"Hao Zhang","orcid":"https://orcid.org/0000-0002-6166-2089"},"institutions":[{"id":"https://openalex.org/I183067930","display_name":"Shanghai Jiao Tong University","ror":"https://ror.org/0220qvk04","country_code":"CN","type":"education","lineage":["https://openalex.org/I183067930"]},{"id":"https://openalex.org/I4210097066","display_name":"Shanghai Ninth People's Hospital","ror":"https://ror.org/010826a91","country_code":"CN","type":"healthcare","lineage":["https://openalex.org/I4210097066"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Hao Zhang","raw_affiliation_strings":["Department of Plastic and Reconstructive Surgery, Shanghai Ninth People\u2019s Hospital, School of Medicine, Shanghai Jiao Tong University, Shanghai 200011, China","Department of Plastic and Reconstructive Surgery, Shanghai Ninth People's Hospital, School of Medicine, Shanghai Jiao Tong University, Shanghai 200011, China"],"affiliations":[{"raw_affiliation_string":"Department of Plastic and Reconstructive Surgery, Shanghai Ninth People\u2019s Hospital, School of Medicine, Shanghai Jiao Tong University, Shanghai 200011, China","institution_ids":["https://openalex.org/I4210097066","https://openalex.org/I183067930"]},{"raw_affiliation_string":"Department of Plastic and Reconstructive Surgery, Shanghai Ninth People's Hospital, School of Medicine, Shanghai Jiao Tong University, Shanghai 200011, China","institution_ids":["https://openalex.org/I4210097066","https://openalex.org/I183067930"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060494462","display_name":"Duan Ni","orcid":"https://orcid.org/0000-0002-3902-2843"},"institutions":[{"id":"https://openalex.org/I129604602","display_name":"University of Sydney","ror":"https://ror.org/0384j8v12","country_code":"AU","type":"education","lineage":["https://openalex.org/I129604602"]}],"countries":["AU"],"is_corresponding":false,"raw_author_name":"Duan Ni","raw_affiliation_strings":["The Charles Perkins Centre, University of Sydney, Sydney, New South Wales 2006, Australia"],"affiliations":[{"raw_affiliation_string":"The Charles Perkins Centre, University of Sydney, Sydney, New South Wales 2006, Australia","institution_ids":["https://openalex.org/I129604602"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5073789937","display_name":"Jigang Fan","orcid":null},"institutions":[{"id":"https://openalex.org/I183067930","display_name":"Shanghai Jiao Tong University","ror":"https://ror.org/0220qvk04","country_code":"CN","type":"education","lineage":["https://openalex.org/I183067930"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jigang Fan","raw_affiliation_strings":["Department of Pathophysiology, Key Laboratory of Cell Differentiation and Apoptosis of Chinese Ministry of Education, School of Medicine, Shanghai Jiao Tong University, Shanghai 200025, China"],"affiliations":[{"raw_affiliation_string":"Department of Pathophysiology, Key Laboratory of Cell Differentiation and Apoptosis of Chinese Ministry of Education, School of Medicine, Shanghai Jiao Tong University, Shanghai 200025, China","institution_ids":["https://openalex.org/I183067930"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007337152","display_name":"Min-Yu Li","orcid":"https://orcid.org/0000-0003-3459-4815"},"institutions":[{"id":"https://openalex.org/I183067930","display_name":"Shanghai Jiao Tong University","ror":"https://ror.org/0220qvk04","country_code":"CN","type":"education","lineage":["https://openalex.org/I183067930"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Minyu Li","raw_affiliation_strings":["Department of Pathophysiology, Key Laboratory of Cell Differentiation and Apoptosis of Chinese Ministry of Education, School of Medicine, Shanghai Jiao Tong University, Shanghai 200025, China"],"affiliations":[{"raw_affiliation_string":"Department of Pathophysiology, Key Laboratory of Cell Differentiation and Apoptosis of Chinese Ministry of Education, School of Medicine, Shanghai Jiao Tong University, Shanghai 200025, China","institution_ids":["https://openalex.org/I183067930"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100409987","display_name":"Jian Zhang","orcid":"https://orcid.org/0000-0002-6558-791X"},"institutions":[{"id":"https://openalex.org/I183067930","display_name":"Shanghai Jiao Tong University","ror":"https://ror.org/0220qvk04","country_code":"CN","type":"education","lineage":["https://openalex.org/I183067930"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jian Zhang","raw_affiliation_strings":["Department of Pathophysiology, Key Laboratory of Cell Differentiation and Apoptosis of Chinese Ministry of Education, School of Medicine, Shanghai Jiao Tong University, Shanghai 200025, China"],"affiliations":[{"raw_affiliation_string":"Department of Pathophysiology, Key Laboratory of Cell Differentiation and Apoptosis of Chinese Ministry of Education, School of Medicine, Shanghai Jiao Tong University, Shanghai 200025, China","institution_ids":["https://openalex.org/I183067930"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5104315050","display_name":"Hua Chen","orcid":"https://orcid.org/0000-0002-0395-266X"},"institutions":[{"id":"https://openalex.org/I4210097066","display_name":"Shanghai Ninth People's Hospital","ror":"https://ror.org/010826a91","country_code":"CN","type":"healthcare","lineage":["https://openalex.org/I4210097066"]},{"id":"https://openalex.org/I183067930","display_name":"Shanghai Jiao Tong University","ror":"https://ror.org/0220qvk04","country_code":"CN","type":"education","lineage":["https://openalex.org/I183067930"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Chen Hua","raw_affiliation_strings":["Department of Plastic and Reconstructive Surgery, Shanghai Ninth People\u2019s Hospital, School of Medicine, Shanghai Jiao Tong University, Shanghai 200011, China","Department of Plastic and Reconstructive Surgery, Shanghai Ninth People's Hospital, School of Medicine, Shanghai Jiao Tong University, Shanghai 200011, China"],"affiliations":[{"raw_affiliation_string":"Department of Plastic and Reconstructive Surgery, Shanghai Ninth People\u2019s Hospital, School of Medicine, Shanghai Jiao Tong University, Shanghai 200011, China","institution_ids":["https://openalex.org/I4210097066","https://openalex.org/I183067930"]},{"raw_affiliation_string":"Department of Plastic and Reconstructive Surgery, Shanghai Ninth People's Hospital, School of Medicine, Shanghai Jiao Tong University, Shanghai 200011, China","institution_ids":["https://openalex.org/I4210097066","https://openalex.org/I183067930"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5025357844","display_name":"Ruth Nussinov","orcid":"https://orcid.org/0000-0002-8115-6415"},"institutions":[{"id":"https://openalex.org/I4210130649","display_name":"Frederick National Laboratory for Cancer Research","ror":"https://ror.org/03v6m3209","country_code":"US","type":"facility","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238","https://openalex.org/I4210130649","https://openalex.org/I4210140884"]},{"id":"https://openalex.org/I16391192","display_name":"Tel Aviv University","ror":"https://ror.org/04mhzgx49","country_code":"IL","type":"education","lineage":["https://openalex.org/I16391192"]},{"id":"https://openalex.org/I4210140884","display_name":"National Cancer Institute","ror":"https://ror.org/040gcmg81","country_code":"US","type":"government","lineage":["https://openalex.org/I1299022934","https://openalex.org/I1299303238","https://openalex.org/I4210140884"]}],"countries":["IL","US"],"is_corresponding":true,"raw_author_name":"Ruth Nussinov","raw_affiliation_strings":["Computational Structural Biology Section, Frederick National Laboratory for Cancer Research, Cancer Innovation Laboratory, National Cancer Institute, Frederick, Maryland 21702, United States","Department of Human Genetics and Molecular Medicine, Sackler School of Medicine, Sackler Institute of Molecular Medicine, Tel Aviv University, Tel Aviv 69978, Israel"],"affiliations":[{"raw_affiliation_string":"Computational Structural Biology Section, Frederick National Laboratory for Cancer Research, Cancer Innovation Laboratory, National Cancer Institute, Frederick, Maryland 21702, United States","institution_ids":["https://openalex.org/I4210130649","https://openalex.org/I4210140884"]},{"raw_affiliation_string":"Department of Human Genetics and Molecular Medicine, Sackler School of Medicine, Sackler Institute of Molecular Medicine, Tel Aviv University, Tel Aviv 69978, Israel","institution_ids":["https://openalex.org/I16391192"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5049338114","display_name":"Shaoyong Lu","orcid":"https://orcid.org/0000-0002-1334-6292"},"institutions":[{"id":"https://openalex.org/I183067930","display_name":"Shanghai Jiao Tong University","ror":"https://ror.org/0220qvk04","country_code":"CN","type":"education","lineage":["https://openalex.org/I183067930"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Shaoyong Lu","raw_affiliation_strings":["Department of Pathophysiology, Key Laboratory of Cell Differentiation and Apoptosis of Chinese Ministry of Education, School of Medicine, Shanghai Jiao Tong University, Shanghai 200025, China","Medicinal Chemistry and Bioinformatics Centre, School of Medicine, Shanghai Jiao Tong University, Shanghai 200025, China"],"affiliations":[{"raw_affiliation_string":"Department of Pathophysiology, Key Laboratory of Cell Differentiation and Apoptosis of Chinese Ministry of Education, School of Medicine, Shanghai Jiao Tong University, Shanghai 200025, China","institution_ids":["https://openalex.org/I183067930"]},{"raw_affiliation_string":"Medicinal Chemistry and Bioinformatics Centre, School of Medicine, Shanghai Jiao Tong University, Shanghai 200025, China","institution_ids":["https://openalex.org/I183067930"]}]}],"institutions":[],"countries_distinct_count":4,"institutions_distinct_count":8,"corresponding_author_ids":["https://openalex.org/A5025357844","https://openalex.org/A5049338114","https://openalex.org/A5104315050"],"corresponding_institution_ids":["https://openalex.org/I16391192","https://openalex.org/I183067930","https://openalex.org/I4210097066","https://openalex.org/I4210130649","https://openalex.org/I4210140884"],"apc_list":null,"apc_paid":null,"fwci":2.8649,"has_fulltext":false,"cited_by_count":35,"citation_normalized_percentile":{"value":0.92004686,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":96,"max":100},"biblio":{"volume":"62","issue":"17","first_page":"4222","last_page":"4231"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10169","display_name":"Protein Kinase Regulation and GTPase Signaling","score":0.9997000098228455,"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/T10169","display_name":"Protein Kinase Regulation and GTPase Signaling","score":0.9997000098228455,"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/T10952","display_name":"PI3K/AKT/mTOR signaling in cancer","score":0.9926999807357788,"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/T10493","display_name":"Ion channel regulation and function","score":0.9904000163078308,"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/chemistry","display_name":"Chemistry","score":0.4642620086669922},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.4570983946323395},{"id":"https://openalex.org/keywords/transition","display_name":"Transition (genetics)","score":0.42406654357910156},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.35702836513519287},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.2818717956542969},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.1840035319328308},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.0985126793384552},{"id":"https://openalex.org/keywords/gene","display_name":"Gene","score":0.09223979711532593}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4642620086669922},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.4570983946323395},{"id":"https://openalex.org/C194232998","wikidata":"https://www.wikidata.org/wiki/Q1606712","display_name":"Transition (genetics)","level":3,"score":0.42406654357910156},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.35702836513519287},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2818717956542969},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.1840035319328308},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.0985126793384552},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.09223979711532593}],"mesh":[{"descriptor_ui":"D002462","descriptor_name":"Cell Membrane","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D002462","descriptor_name":"Cell Membrane","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D002462","descriptor_name":"Cell Membrane","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D006153","descriptor_name":"Guanosine Diphosphate","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D006153","descriptor_name":"Guanosine Diphosphate","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D006153","descriptor_name":"Guanosine Diphosphate","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D006153","descriptor_name":"Guanosine Diphosphate","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D006153","descriptor_name":"Guanosine Diphosphate","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D006153","descriptor_name":"Guanosine Diphosphate","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016283","descriptor_name":"Proto-Oncogene Proteins p21(ras)","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D016283","descriptor_name":"Proto-Oncogene Proteins p21(ras)","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D016283","descriptor_name":"Proto-Oncogene Proteins p21(ras)","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D020033","descriptor_name":"Protein Isoforms","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D020033","descriptor_name":"Protein Isoforms","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D020033","descriptor_name":"Protein Isoforms","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"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":2,"locations":[{"id":"doi:10.1021/acs.jcim.2c00591","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.2c00591","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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:35994329","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/35994329","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}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G2286657886","display_name":null,"funder_award_id":"22077082","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G8882569155","display_name":null,"funder_award_id":"HHSN261201500003I","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":66,"referenced_works":["https://openalex.org/W1843201152","https://openalex.org/W1976499671","https://openalex.org/W2006467878","https://openalex.org/W2008762441","https://openalex.org/W2016336300","https://openalex.org/W2031430816","https://openalex.org/W2033125632","https://openalex.org/W2066795144","https://openalex.org/W2067174909","https://openalex.org/W2085213650","https://openalex.org/W2086513155","https://openalex.org/W2090264443","https://openalex.org/W2091707670","https://openalex.org/W2112451232","https://openalex.org/W2124042056","https://openalex.org/W2132589721","https://openalex.org/W2157656807","https://openalex.org/W2166692731","https://openalex.org/W2171529739","https://openalex.org/W2203187780","https://openalex.org/W2204102416","https://openalex.org/W2210900834","https://openalex.org/W2226825552","https://openalex.org/W2260312731","https://openalex.org/W2279293113","https://openalex.org/W2282990014","https://openalex.org/W2328575291","https://openalex.org/W2404280981","https://openalex.org/W2409503716","https://openalex.org/W2464027273","https://openalex.org/W2538983301","https://openalex.org/W2560264526","https://openalex.org/W2570547882","https://openalex.org/W2597182072","https://openalex.org/W2621470440","https://openalex.org/W2625829283","https://openalex.org/W2717068414","https://openalex.org/W2781356709","https://openalex.org/W2896964091","https://openalex.org/W2949671346","https://openalex.org/W2956334136","https://openalex.org/W2963254306","https://openalex.org/W2967433676","https://openalex.org/W2983417838","https://openalex.org/W2993824508","https://openalex.org/W2998848508","https://openalex.org/W3013184680","https://openalex.org/W3021240562","https://openalex.org/W3041359365","https://openalex.org/W3087100296","https://openalex.org/W3097974261","https://openalex.org/W3110573705","https://openalex.org/W3126446558","https://openalex.org/W3146232823","https://openalex.org/W3187854360","https://openalex.org/W3188770510","https://openalex.org/W3201106968","https://openalex.org/W3214609477","https://openalex.org/W4206470387","https://openalex.org/W4206811385","https://openalex.org/W4214922368","https://openalex.org/W4220876607","https://openalex.org/W4225592246","https://openalex.org/W4286435038","https://openalex.org/W4292466538","https://openalex.org/W4297811789"],"related_works":["https://openalex.org/W4387497383","https://openalex.org/W2948807893","https://openalex.org/W2778153218","https://openalex.org/W2748952813","https://openalex.org/W1531601525","https://openalex.org/W4391375266","https://openalex.org/W2078814861","https://openalex.org/W2527526854","https://openalex.org/W1976181487","https://openalex.org/W1986764834"],"abstract_inverted_index":{"K-Ras4B,":[0],"the":[1,22,33,45,50,56,60,71,74,90,93,97,126,130,141,151,158,161,167,187,192],"most":[2],"frequently":[3],"mutated":[4],"Ras":[5],"isoform":[6],"in":[7,14,29,38,65,173],"human":[8],"tumors,":[9],"plays":[10],"a":[11,106,111,137,183],"vital":[12],"part":[13],"cell":[15],"growth,":[16],"differentiation,":[17],"and":[18,37,42,119,144,160,191],"survival.":[19],"Its":[20],"tail,":[21],"C-terminal":[23],"hypervariable":[24],"region":[25],"(HVR),":[26],"is":[27],"involved":[28],"anchoring":[30],"K-Ras4B":[31,64,170,195],"at":[32,59,197],"cellular":[34],"plasma":[35],"membrane":[36],"isoform-specific":[39],"protein-protein":[40],"interactions":[41,156],"signaling.":[43],"In":[44],"inactive":[46],"guanosine":[47],"diphosphate-bound":[48],"state,":[49],"intrinsically":[51,94],"disordered":[52,95],"HVR":[53,72,91,131,142,159,188],"interacts":[54],"with":[55,77],"catalytic":[57,75,162],"domain":[58,163],"effector-binding":[61],"region,":[62],"rendering":[63],"its":[66,78],"autoinhibited":[67],"state.":[68],"Activation":[69],"releases":[70],"from":[73,92],"domain,":[76],"ensemble":[79],"favoring":[80],"an":[81,198],"ordered":[82,98],"\u03b1-helical":[83],"structure.":[84],"The":[85],"large-scale":[86],"conformational":[87,127,148],"transition":[88,112,132,143,152,189],"of":[89,129,169,186,194],"to":[96,124],"conformation":[99],"remains":[100],"poorly":[101],"understood.":[102],"Here,":[103],"we":[104],"deploy":[105],"computational":[107],"scheme":[108],"that":[109],"integrates":[110],"path-generation":[113],"algorithm,":[114],"extensive":[115],"molecular":[116],"dynamics":[117],"simulation,":[118],"Markov":[120],"state":[121],"model":[122],"analysis":[123],"investigate":[125],"landscape":[128],"pathway.":[133,153],"Our":[134],"findings":[135,181],"reveal":[136],"stepwise":[138],"pathway":[139],"for":[140],"uncover":[145],"several":[146,174],"key":[147,155],"substates":[149],"along":[150],"Importantly,":[154],"between":[157],"are":[164],"unraveled,":[165],"highlighting":[166],"pathogenesis":[168],"mild":[171],"mutations":[172],"congenital":[175],"developmental":[176],"anomaly":[177],"syndromes.":[178],"Together,":[179],"these":[180],"provide":[182],"deeper":[184],"understanding":[185],"mechanism":[190],"regulation":[193],"activity":[196],"atomic":[199],"level.":[200]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":10},{"year":2024,"cited_by_count":9},{"year":2023,"cited_by_count":11},{"year":2022,"cited_by_count":3}],"updated_date":"2026-03-03T08:47:05.690250","created_date":"2025-10-10T00:00:00"}
