{"id":"https://openalex.org/W7118016016","doi":"https://doi.org/10.1021/acs.jcim.5c02787","title":"Osimertinib\u2019s Proton-Catalyzed, Pseudoconcerted EGFR Inhibition Guides Next-Generation Inhibitor Design","display_name":"Osimertinib\u2019s Proton-Catalyzed, Pseudoconcerted EGFR Inhibition Guides Next-Generation Inhibitor Design","publication_year":2026,"publication_date":"2026-01-02","ids":{"openalex":"https://openalex.org/W7118016016","doi":"https://doi.org/10.1021/acs.jcim.5c02787","pmid":"https://pubmed.ncbi.nlm.nih.gov/41481194"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.5c02787","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5c02787","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":true,"oa_status":"green","oa_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC12848964/","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5059056643","display_name":"AKIHIRO KONDO","orcid":null},"institutions":[{"id":"https://openalex.org/I60134161","display_name":"Nagoya University","ror":"https://ror.org/04chrp450","country_code":"JP","type":"education","lineage":["https://openalex.org/I60134161"]}],"countries":["JP"],"is_corresponding":true,"raw_author_name":"Akihiro Kondo","raw_affiliation_strings":["Department of Chemistry, Graduate School of Science, Nagoya University, Furocho, Chikusa, Nagoya 464-8601, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Graduate School of Science, Nagoya University, Furocho, Chikusa, Nagoya 464-8601, Japan","institution_ids":["https://openalex.org/I60134161"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5039030871","display_name":"Kazuhiro J. Fujimoto","orcid":null},"institutions":[{"id":"https://openalex.org/I60134161","display_name":"Nagoya University","ror":"https://ror.org/04chrp450","country_code":"JP","type":"education","lineage":["https://openalex.org/I60134161"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Kazuhiro J. Fujimoto","raw_affiliation_strings":["Department of Chemistry, Graduate School of Science, Nagoya University, Furocho, Chikusa, Nagoya 464-8601, Japan","Institute of Transformative Bio-Molecules (WPI-ITbM), Nagoya University, Furocho, Chikusa, Nagoya 464-8601, Japan"],"raw_orcid":"https://orcid.org/0000-0003-0286-3646","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Graduate School of Science, Nagoya University, Furocho, Chikusa, Nagoya 464-8601, Japan","institution_ids":["https://openalex.org/I60134161"]},{"raw_affiliation_string":"Institute of Transformative Bio-Molecules (WPI-ITbM), Nagoya University, Furocho, Chikusa, Nagoya 464-8601, Japan","institution_ids":["https://openalex.org/I60134161"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5079870436","display_name":"Shin-ichi Koda","orcid":null},"institutions":[{"id":"https://openalex.org/I200475212","display_name":"The Graduate University for Advanced Studies, SOKENDAI","ror":"https://ror.org/0516ah480","country_code":"JP","type":"education","lineage":["https://openalex.org/I200475212"]},{"id":"https://openalex.org/I4210143791","display_name":"Institute for Molecular Science","ror":"https://ror.org/04wqh5h97","country_code":"JP","type":"facility","lineage":["https://openalex.org/I1319490839","https://openalex.org/I199525922","https://openalex.org/I4210143791"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Shin-ichi Koda","raw_affiliation_strings":["Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Myodaiji, Okazaki, Aichi 444-8585, Japan","School of Physical Sciences, The Graduate University for Advanced Studies, Myodaiji, Okazaki, Aichi 444-8585, Japan"],"raw_orcid":"https://orcid.org/0000-0003-0993-3678","affiliations":[{"raw_affiliation_string":"Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Myodaiji, Okazaki, Aichi 444-8585, Japan","institution_ids":["https://openalex.org/I4210143791"]},{"raw_affiliation_string":"School of Physical Sciences, The Graduate University for Advanced Studies, Myodaiji, Okazaki, Aichi 444-8585, Japan","institution_ids":["https://openalex.org/I200475212"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5121826298","display_name":"Shinji Saito","orcid":null},"institutions":[{"id":"https://openalex.org/I200475212","display_name":"The Graduate University for Advanced Studies, SOKENDAI","ror":"https://ror.org/0516ah480","country_code":"JP","type":"education","lineage":["https://openalex.org/I200475212"]},{"id":"https://openalex.org/I4210143791","display_name":"Institute for Molecular Science","ror":"https://ror.org/04wqh5h97","country_code":"JP","type":"facility","lineage":["https://openalex.org/I1319490839","https://openalex.org/I199525922","https://openalex.org/I4210143791"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Shinji Saito","raw_affiliation_strings":["Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Myodaiji, Okazaki, Aichi 444-8585, Japan","School of Physical Sciences, The Graduate University for Advanced Studies, Myodaiji, Okazaki, Aichi 444-8585, Japan"],"raw_orcid":"https://orcid.org/0000-0003-4982-4820","affiliations":[{"raw_affiliation_string":"Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Myodaiji, Okazaki, Aichi 444-8585, Japan","institution_ids":["https://openalex.org/I4210143791"]},{"raw_affiliation_string":"School of Physical Sciences, The Graduate University for Advanced Studies, Myodaiji, Okazaki, Aichi 444-8585, Japan","institution_ids":["https://openalex.org/I200475212"]}]},{"author_position":"last","author":{"id":null,"display_name":"Takeshi Yanai","orcid":"https://orcid.org/0000-0003-3933-8546"},"institutions":[{"id":"https://openalex.org/I60134161","display_name":"Nagoya University","ror":"https://ror.org/04chrp450","country_code":"JP","type":"education","lineage":["https://openalex.org/I60134161"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Takeshi Yanai","raw_affiliation_strings":["Department of Chemistry, Graduate School of Science, Nagoya University, Furocho, Chikusa, Nagoya 464-8601, Japan","Institute of Transformative Bio-Molecules (WPI-ITbM), Nagoya University, Furocho, Chikusa, Nagoya 464-8601, Japan"],"raw_orcid":"https://orcid.org/0000-0003-3933-8546","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Graduate School of Science, Nagoya University, Furocho, Chikusa, Nagoya 464-8601, Japan","institution_ids":["https://openalex.org/I60134161"]},{"raw_affiliation_string":"Institute of Transformative Bio-Molecules (WPI-ITbM), Nagoya University, Furocho, Chikusa, Nagoya 464-8601, Japan","institution_ids":["https://openalex.org/I60134161"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5059056643"],"corresponding_institution_ids":["https://openalex.org/I60134161"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.00887777,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"66","issue":"2","first_page":"1203","last_page":"1213"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10417","display_name":"Lung Cancer Treatments and Mutations","score":0.17569999396800995,"subfield":{"id":"https://openalex.org/subfields/2740","display_name":"Pulmonary and Respiratory Medicine"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T10417","display_name":"Lung Cancer Treatments and Mutations","score":0.17569999396800995,"subfield":{"id":"https://openalex.org/subfields/2740","display_name":"Pulmonary and Respiratory Medicine"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T11440","display_name":"Click Chemistry and Applications","score":0.14309999346733093,"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/T11215","display_name":"Chronic Myeloid Leukemia Treatments","score":0.09239999949932098,"subfield":{"id":"https://openalex.org/subfields/2720","display_name":"Hematology"},"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/covalent-bond","display_name":"Covalent bond","score":0.7092999815940857},{"id":"https://openalex.org/keywords/protonation","display_name":"Protonation","score":0.6340000033378601},{"id":"https://openalex.org/keywords/natural-bond-orbital","display_name":"Natural bond orbital","score":0.6036999821662903},{"id":"https://openalex.org/keywords/nucleophile","display_name":"Nucleophile","score":0.5471000075340271},{"id":"https://openalex.org/keywords/proton-affinity","display_name":"Proton affinity","score":0.4553999900817871},{"id":"https://openalex.org/keywords/substituent","display_name":"Substituent","score":0.44670000672340393},{"id":"https://openalex.org/keywords/cationic-polymerization","display_name":"Cationic polymerization","score":0.39739999175071716},{"id":"https://openalex.org/keywords/qm/mm","display_name":"QM/MM","score":0.3970000147819519},{"id":"https://openalex.org/keywords/density-functional-theory","display_name":"Density functional theory","score":0.3492000102996826}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8159999847412109},{"id":"https://openalex.org/C180577832","wikidata":"https://www.wikidata.org/wiki/Q127920","display_name":"Covalent bond","level":2,"score":0.7092999815940857},{"id":"https://openalex.org/C30095370","wikidata":"https://www.wikidata.org/wiki/Q899488","display_name":"Protonation","level":3,"score":0.6340000033378601},{"id":"https://openalex.org/C130188946","wikidata":"https://www.wikidata.org/wiki/Q4391470","display_name":"Natural bond orbital","level":3,"score":0.6036999821662903},{"id":"https://openalex.org/C178907741","wikidata":"https://www.wikidata.org/wiki/Q745930","display_name":"Nucleophile","level":3,"score":0.5471000075340271},{"id":"https://openalex.org/C53323650","wikidata":"https://www.wikidata.org/wiki/Q1118362","display_name":"Proton affinity","level":4,"score":0.4553999900817871},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.4526999890804291},{"id":"https://openalex.org/C2778689049","wikidata":"https://www.wikidata.org/wiki/Q898422","display_name":"Substituent","level":2,"score":0.44670000672340393},{"id":"https://openalex.org/C183882617","wikidata":"https://www.wikidata.org/wiki/Q3046749","display_name":"Cationic polymerization","level":2,"score":0.39739999175071716},{"id":"https://openalex.org/C20803032","wikidata":"https://www.wikidata.org/wiki/Q207900","display_name":"QM/MM","level":3,"score":0.3970000147819519},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.35910001397132874},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.3492000102996826},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.3237000107765198},{"id":"https://openalex.org/C2780283098","wikidata":"https://www.wikidata.org/wiki/Q4688960","display_name":"Affinities","level":2,"score":0.3183000087738037},{"id":"https://openalex.org/C53105671","wikidata":"https://www.wikidata.org/wiki/Q14777816","display_name":"Rational design","level":2,"score":0.3179999887943268},{"id":"https://openalex.org/C178429038","wikidata":"https://www.wikidata.org/wiki/Q517973","display_name":"Valence bond theory","level":4,"score":0.3111000061035156},{"id":"https://openalex.org/C20774148","wikidata":"https://www.wikidata.org/wiki/Q901669","display_name":"Nucleophilic addition","level":3,"score":0.3086000084877014},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.30559998750686646},{"id":"https://openalex.org/C148898269","wikidata":"https://www.wikidata.org/wiki/Q1108792","display_name":"Kinetics","level":2,"score":0.2935999929904938},{"id":"https://openalex.org/C85641259","wikidata":"https://www.wikidata.org/wiki/Q290042","display_name":"Turn (biochemistry)","level":2,"score":0.2872999906539917},{"id":"https://openalex.org/C137277065","wikidata":"https://www.wikidata.org/wiki/Q2915446","display_name":"Non-covalent interactions","level":4,"score":0.2849999964237213},{"id":"https://openalex.org/C146477669","wikidata":"https://www.wikidata.org/wiki/Q334631","display_name":"Gibbs free energy","level":2,"score":0.27959999442100525},{"id":"https://openalex.org/C68381374","wikidata":"https://www.wikidata.org/wiki/Q258652","display_name":"Double bond","level":2,"score":0.27950000762939453},{"id":"https://openalex.org/C2777682936","wikidata":"https://www.wikidata.org/wiki/Q408908","display_name":"Pyrazole","level":2,"score":0.27649998664855957},{"id":"https://openalex.org/C54516573","wikidata":"https://www.wikidata.org/wiki/Q2294","display_name":"Proton","level":2,"score":0.2678000032901764},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.26420000195503235},{"id":"https://openalex.org/C192527728","wikidata":"https://www.wikidata.org/wiki/Q1465700","display_name":"Indole test","level":2,"score":0.2621999979019165}],"mesh":[{"descriptor_ui":"D000178","descriptor_name":"Acrylamides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000178","descriptor_name":"Acrylamides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000178","descriptor_name":"Acrylamides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000178","descriptor_name":"Acrylamides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000178","descriptor_name":"Acrylamides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000178","descriptor_name":"Acrylamides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000814","descriptor_name":"Aniline Compounds","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000814","descriptor_name":"Aniline Compounds","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000814","descriptor_name":"Aniline Compounds","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000814","descriptor_name":"Aniline Compounds","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000814","descriptor_name":"Aniline Compounds","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000814","descriptor_name":"Aniline Compounds","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D002384","descriptor_name":"Catalysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002384","descriptor_name":"Catalysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002384","descriptor_name":"Catalysis","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":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007211","descriptor_name":"Indoles","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007211","descriptor_name":"Indoles","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007211","descriptor_name":"Indoles","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011522","descriptor_name":"Protons","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011522","descriptor_name":"Protons","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011522","descriptor_name":"Protons","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011743","descriptor_name":"Pyrimidines","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011743","descriptor_name":"Pyrimidines","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011743","descriptor_name":"Pyrimidines","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":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","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":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","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":false},{"descriptor_ui":"D066246","descriptor_name":"ErbB Receptors","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":true},{"descriptor_ui":"D066246","descriptor_name":"ErbB Receptors","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":true},{"descriptor_ui":"D066246","descriptor_name":"ErbB Receptors","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":true},{"descriptor_ui":"D066246","descriptor_name":"ErbB Receptors","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D066246","descriptor_name":"ErbB Receptors","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D066246","descriptor_name":"ErbB Receptors","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D066246","descriptor_name":"ErbB Receptors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D066246","descriptor_name":"ErbB Receptors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D066246","descriptor_name":"ErbB Receptors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.5c02787","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5c02787","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:41481194","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/41481194","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:12848964","is_oa":true,"landing_page_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC12848964/","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":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"}],"best_oa_location":{"id":"pmh:oai:pubmedcentral.nih.gov:12848964","is_oa":true,"landing_page_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC12848964/","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":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/7","display_name":"Affordable and clean energy","score":0.7454189658164978}],"awards":[{"id":"https://openalex.org/G1646024321","display_name":null,"funder_award_id":"JP22K21346","funder_id":"https://openalex.org/F4320334764","funder_display_name":"Japan Society for the Promotion of Science"},{"id":"https://openalex.org/G2491887652","display_name":null,"funder_award_id":"JP25H00429","funder_id":"https://openalex.org/F4320334764","funder_display_name":"Japan Society for the Promotion of Science"},{"id":"https://openalex.org/G311652950","display_name":null,"funder_award_id":"JP25H01253","funder_id":"https://openalex.org/F4320334764","funder_display_name":"Japan Society for the Promotion of Science"},{"id":"https://openalex.org/G4046885953","display_name":null,"funder_award_id":"JP24H00449","funder_id":"https://openalex.org/F4320334764","funder_display_name":"Japan Society for the Promotion of Science"},{"id":"https://openalex.org/G5449582286","display_name":null,"funder_award_id":"JPMJCR21O5","funder_id":"https://openalex.org/F4320338075","funder_display_name":"Core Research for Evolutional Science and Technology"},{"id":"https://openalex.org/G7277730380","display_name":null,"funder_award_id":"JP24H02268","funder_id":"https://openalex.org/F4320334764","funder_display_name":"Japan Society for the Promotion of Science"},{"id":"https://openalex.org/G7903640985","display_name":null,"funder_award_id":"JPMXP1323015482","funder_id":"https://openalex.org/F4320320912","funder_display_name":"Ministry of Education, Culture, Sports, Science and Technology"},{"id":"https://openalex.org/G985070765","display_name":null,"funder_award_id":"JP25H01266","funder_id":"https://openalex.org/F4320334764","funder_display_name":"Japan Society for the Promotion of Science"}],"funders":[{"id":"https://openalex.org/F4320320912","display_name":"Ministry of Education, Culture, Sports, Science and Technology","ror":"https://ror.org/048rj2z13"},{"id":"https://openalex.org/F4320334764","display_name":"Japan Society for the Promotion of Science","ror":"https://ror.org/00hhkn466"},{"id":"https://openalex.org/F4320338075","display_name":"Core Research for Evolutional Science and Technology","ror":"https://ror.org/00097mb19"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":60,"referenced_works":["https://openalex.org/W1546552389","https://openalex.org/W1940083515","https://openalex.org/W1964217341","https://openalex.org/W1977222497","https://openalex.org/W1979766088","https://openalex.org/W1980149636","https://openalex.org/W1986446650","https://openalex.org/W1987892543","https://openalex.org/W1992173555","https://openalex.org/W2023271753","https://openalex.org/W2028415754","https://openalex.org/W2057980421","https://openalex.org/W2066314848","https://openalex.org/W2069924395","https://openalex.org/W2073036247","https://openalex.org/W2088540000","https://openalex.org/W2096747776","https://openalex.org/W2110841878","https://openalex.org/W2112850441","https://openalex.org/W2132629607","https://openalex.org/W2138851777","https://openalex.org/W2152905269","https://openalex.org/W2156364948","https://openalex.org/W2156777159","https://openalex.org/W2157824687","https://openalex.org/W2169709967","https://openalex.org/W2190363753","https://openalex.org/W2316509125","https://openalex.org/W2325071936","https://openalex.org/W2327581403","https://openalex.org/W2330799739","https://openalex.org/W2615601352","https://openalex.org/W2762419582","https://openalex.org/W2775452999","https://openalex.org/W2785841326","https://openalex.org/W2893189760","https://openalex.org/W2902450227","https://openalex.org/W2909074919","https://openalex.org/W2949836140","https://openalex.org/W2973195589","https://openalex.org/W2976334328","https://openalex.org/W3012576274","https://openalex.org/W3014572135","https://openalex.org/W3014696958","https://openalex.org/W3042222489","https://openalex.org/W3127766909","https://openalex.org/W3203691553","https://openalex.org/W4211196614","https://openalex.org/W4252336930","https://openalex.org/W4284992638","https://openalex.org/W4286716405","https://openalex.org/W4319815296","https://openalex.org/W4367312050","https://openalex.org/W4393031108","https://openalex.org/W4399701610","https://openalex.org/W4401628311","https://openalex.org/W4403548222","https://openalex.org/W4403749059","https://openalex.org/W4406096168","https://openalex.org/W4408571971"],"related_works":[],"abstract_inverted_index":{"-methyl":[0],"substituent":[1],"and":[2,31,44],"strengthening":[3],"its":[4],"electrostatic":[5],"interaction":[6],"with":[7,41],"Asp855":[8,32],"to":[9],"stabilize":[10],"the":[11],"reactant":[12],"complex.":[13],"Together,":[14],"these":[15],"results":[16],"provide":[17],"a":[18],"mechanistic":[19],"framework":[20],"for":[21,37],"covalent":[22,39],"bond":[23],"formation":[24],"underlying":[25],"EGFR":[26],"inhibition\u2500highlighting":[27],"inhibitor-derived":[28],"proton":[29],"catalysis":[30],"engagement\u2500and":[33],"offer":[34],"design":[35],"principles":[36],"next-generation":[38],"inhibitors":[40],"improved":[42],"potency":[43],"resistance-breaking":[45],"potential.":[46]},"counts_by_year":[],"updated_date":"2026-04-28T14:05:53.105641","created_date":"2026-01-02T00:00:00"}