{"id":"https://openalex.org/W2045470787","doi":"https://doi.org/10.1007/s10822-010-9324-x","title":"A computational workflow for the design of irreversible inhibitors of protein kinases","display_name":"A computational workflow for the design of irreversible inhibitors of protein kinases","publication_year":2010,"publication_date":"2010-03-01","ids":{"openalex":"https://openalex.org/W2045470787","doi":"https://doi.org/10.1007/s10822-010-9324-x","mag":"2045470787","pmid":"https://pubmed.ncbi.nlm.nih.gov/20306284"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-010-9324-x","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-010-9324-x","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"http://hdl.handle.net/11380/640403","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5081139093","display_name":"Alberto Del R\u00edo","orcid":"https://orcid.org/0000-0002-1890-6797"},"institutions":[{"id":"https://openalex.org/I122346577","display_name":"University of Modena and Reggio Emilia","ror":"https://ror.org/02d4c4y02","country_code":"IT","type":"education","lineage":["https://openalex.org/I122346577"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"Alberto Del Rio","raw_affiliation_strings":["Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Modena e Reggio Emilia, Via Campi 183, 41100, Modena, Italy","Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Modena e Reggio Emilia, Modena, Italy"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Modena e Reggio Emilia, Via Campi 183, 41100, Modena, Italy","institution_ids":["https://openalex.org/I122346577"]},{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Modena e Reggio Emilia, Modena, Italy","institution_ids":["https://openalex.org/I122346577"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009332389","display_name":"Miriam Sgobba","orcid":null},"institutions":[{"id":"https://openalex.org/I122346577","display_name":"University of Modena and Reggio Emilia","ror":"https://ror.org/02d4c4y02","country_code":"IT","type":"education","lineage":["https://openalex.org/I122346577"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Miriam Sgobba","raw_affiliation_strings":["Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Modena e Reggio Emilia, Via Campi 183, 41100, Modena, Italy","Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Modena e Reggio Emilia, Modena, Italy"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Modena e Reggio Emilia, Via Campi 183, 41100, Modena, Italy","institution_ids":["https://openalex.org/I122346577"]},{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Modena e Reggio Emilia, Modena, Italy","institution_ids":["https://openalex.org/I122346577"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5008201501","display_name":"Marco Parenti","orcid":"https://orcid.org/0000-0001-6837-8294"},"institutions":[{"id":"https://openalex.org/I122346577","display_name":"University of Modena and Reggio Emilia","ror":"https://ror.org/02d4c4y02","country_code":"IT","type":"education","lineage":["https://openalex.org/I122346577"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Marco Daniele Parenti","raw_affiliation_strings":["Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Modena e Reggio Emilia, Via Campi 183, 41100, Modena, Italy","Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Modena e Reggio Emilia, Modena, Italy"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Modena e Reggio Emilia, Via Campi 183, 41100, Modena, Italy","institution_ids":["https://openalex.org/I122346577"]},{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Modena e Reggio Emilia, Modena, Italy","institution_ids":["https://openalex.org/I122346577"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5066982851","display_name":"Gianluca Degliesposti","orcid":"https://orcid.org/0000-0001-6387-2533"},"institutions":[{"id":"https://openalex.org/I122346577","display_name":"University of Modena and Reggio Emilia","ror":"https://ror.org/02d4c4y02","country_code":"IT","type":"education","lineage":["https://openalex.org/I122346577"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Gianluca Degliesposti","raw_affiliation_strings":["Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Modena e Reggio Emilia, Via Campi 183, 41100, Modena, Italy","Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Modena e Reggio Emilia, Modena, Italy"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Modena e Reggio Emilia, Via Campi 183, 41100, Modena, Italy","institution_ids":["https://openalex.org/I122346577"]},{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Modena e Reggio Emilia, Modena, Italy","institution_ids":["https://openalex.org/I122346577"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5031051244","display_name":"Rosetta Forestiero","orcid":null},"institutions":[{"id":"https://openalex.org/I122346577","display_name":"University of Modena and Reggio Emilia","ror":"https://ror.org/02d4c4y02","country_code":"IT","type":"education","lineage":["https://openalex.org/I122346577"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Rosetta Forestiero","raw_affiliation_strings":["Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Modena e Reggio Emilia, Via Campi 183, 41100, Modena, Italy","Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Modena e Reggio Emilia, Modena, Italy"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Modena e Reggio Emilia, Via Campi 183, 41100, Modena, Italy","institution_ids":["https://openalex.org/I122346577"]},{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Modena e Reggio Emilia, Modena, Italy","institution_ids":["https://openalex.org/I122346577"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5036045977","display_name":"Claudia Percivalle","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":"Claudia Percivalle","raw_affiliation_strings":["Dipartimento di Chimica Organica, Universit\u00e0 di Pavia, Via Taramelli 10, 27100, Pavia, Italy","Dipartimento di Chimica Organica, Universita di Pavia, Pavia, Italy"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Chimica Organica, Universit\u00e0 di Pavia, Via Taramelli 10, 27100, Pavia, Italy","institution_ids":["https://openalex.org/I25217355"]},{"raw_affiliation_string":"Dipartimento di Chimica Organica, Universita di Pavia, Pavia, Italy","institution_ids":["https://openalex.org/I25217355"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5034987953","display_name":"Pierfranco Cont\u00e9","orcid":"https://orcid.org/0000-0002-5210-5344"},"institutions":[{"id":"https://openalex.org/I122346577","display_name":"University of Modena and Reggio Emilia","ror":"https://ror.org/02d4c4y02","country_code":"IT","type":"education","lineage":["https://openalex.org/I122346577"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Pier Franco Conte","raw_affiliation_strings":["Dipartimento di Oncologia ed Ematologia, Universit\u00e0 di Modena e Reggio Emilia, Via del Pozzo 71, 41100, Modena, Italy","Dipartimento di Oncologia ed Ematologia, Universit\u00e0 di Modena e Reggio Emilia, Modena, Italy"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Oncologia ed Ematologia, Universit\u00e0 di Modena e Reggio Emilia, Via del Pozzo 71, 41100, Modena, Italy","institution_ids":["https://openalex.org/I122346577"]},{"raw_affiliation_string":"Dipartimento di Oncologia ed Ematologia, Universit\u00e0 di Modena e Reggio Emilia, Modena, Italy","institution_ids":["https://openalex.org/I122346577"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5020717296","display_name":"Mauro Freccero","orcid":"https://orcid.org/0000-0002-7438-1526"},"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":"Mauro Freccero","raw_affiliation_strings":["Dipartimento di Chimica Organica, Universit\u00e0 di Pavia, Via Taramelli 10, 27100, Pavia, Italy","Dipartimento di Chimica Organica, Universita di Pavia, Pavia, Italy"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Chimica Organica, Universit\u00e0 di Pavia, Via Taramelli 10, 27100, Pavia, Italy","institution_ids":["https://openalex.org/I25217355"]},{"raw_affiliation_string":"Dipartimento di Chimica Organica, Universita di Pavia, Pavia, Italy","institution_ids":["https://openalex.org/I25217355"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5066566738","display_name":"Giulio Rastelli","orcid":"https://orcid.org/0000-0002-2474-0607"},"institutions":[{"id":"https://openalex.org/I122346577","display_name":"University of Modena and Reggio Emilia","ror":"https://ror.org/02d4c4y02","country_code":"IT","type":"education","lineage":["https://openalex.org/I122346577"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Giulio Rastelli","raw_affiliation_strings":["Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Modena e Reggio Emilia, Via Campi 183, 41100, Modena, Italy","Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Modena e Reggio Emilia, Modena, Italy"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Modena e Reggio Emilia, Via Campi 183, 41100, Modena, Italy","institution_ids":["https://openalex.org/I122346577"]},{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Modena e Reggio Emilia, Modena, Italy","institution_ids":["https://openalex.org/I122346577"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":9,"corresponding_author_ids":["https://openalex.org/A5081139093"],"corresponding_institution_ids":["https://openalex.org/I122346577"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":2.0662,"has_fulltext":false,"cited_by_count":11,"citation_normalized_percentile":{"value":0.86624394,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"24","issue":"3","first_page":"183","last_page":"194"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9995999932289124,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9995999932289124,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11533","display_name":"Melanoma and MAPK Pathways","score":0.9991999864578247,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9973999857902527,"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/workflow","display_name":"Workflow","score":0.6270717978477478},{"id":"https://openalex.org/keywords/kinase","display_name":"Kinase","score":0.6028226613998413},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5112559795379639},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.4903123676776886},{"id":"https://openalex.org/keywords/cysteine","display_name":"Cysteine","score":0.48455944657325745},{"id":"https://openalex.org/keywords/ligand","display_name":"Ligand (biochemistry)","score":0.46911385655403137},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.46430686116218567},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.43972548842430115},{"id":"https://openalex.org/keywords/combinatorial-chemistry","display_name":"Combinatorial chemistry","score":0.42335188388824463},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.3312186002731323},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.3203441798686981},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.22243958711624146},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.1402391791343689}],"concepts":[{"id":"https://openalex.org/C177212765","wikidata":"https://www.wikidata.org/wiki/Q627335","display_name":"Workflow","level":2,"score":0.6270717978477478},{"id":"https://openalex.org/C184235292","wikidata":"https://www.wikidata.org/wiki/Q421851","display_name":"Kinase","level":2,"score":0.6028226613998413},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5112559795379639},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.4903123676776886},{"id":"https://openalex.org/C2779201268","wikidata":"https://www.wikidata.org/wiki/Q186474","display_name":"Cysteine","level":3,"score":0.48455944657325745},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.46911385655403137},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.46430686116218567},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.43972548842430115},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.42335188388824463},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.3312186002731323},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.3203441798686981},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.22243958711624146},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.1402391791343689},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003545","descriptor_name":"Cysteine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D003545","descriptor_name":"Cysteine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D003545","descriptor_name":"Cysteine","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":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","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":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","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":"D019950","descriptor_name":"Mitogen-Activated Protein Kinase 1","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D019950","descriptor_name":"Mitogen-Activated Protein Kinase 1","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D019950","descriptor_name":"Mitogen-Activated Protein Kinase 1","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D019950","descriptor_name":"Mitogen-Activated Protein Kinase 1","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D019950","descriptor_name":"Mitogen-Activated Protein Kinase 1","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D019950","descriptor_name":"Mitogen-Activated Protein Kinase 1","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":3,"locations":[{"id":"doi:10.1007/s10822-010-9324-x","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-010-9324-x","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:20306284","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/20306284","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 computer-aided molecular design","raw_type":null},{"id":"pmh:oai:iris.unimore.it:11380/640403","is_oa":true,"landing_page_url":"http://hdl.handle.net/11380/640403","pdf_url":null,"source":{"id":"https://openalex.org/S4306400718","display_name":"IRIS UNIMORE (University of Modena and Reggio Emilia)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I122346577","host_organization_name":"University of Modena and Reggio Emilia","host_organization_lineage":["https://openalex.org/I122346577"],"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"}],"best_oa_location":{"id":"pmh:oai:iris.unimore.it:11380/640403","is_oa":true,"landing_page_url":"http://hdl.handle.net/11380/640403","pdf_url":null,"source":{"id":"https://openalex.org/S4306400718","display_name":"IRIS UNIMORE (University of Modena and Reggio Emilia)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I122346577","host_organization_name":"University of Modena and Reggio Emilia","host_organization_lineage":["https://openalex.org/I122346577"],"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"},"sustainable_development_goals":[{"display_name":"Affordable and clean energy","id":"https://metadata.un.org/sdg/7","score":0.41999998688697815}],"awards":[],"funders":[{"id":"https://openalex.org/F4320323054","display_name":"Associazione Italiana per la Ricerca sul Cancro","ror":"https://ror.org/02g2x7380"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":33,"referenced_works":["https://openalex.org/W1988562891","https://openalex.org/W2004519217","https://openalex.org/W2014938747","https://openalex.org/W2016380176","https://openalex.org/W2019216438","https://openalex.org/W2019534832","https://openalex.org/W2024704410","https://openalex.org/W2027779620","https://openalex.org/W2030205108","https://openalex.org/W2032817710","https://openalex.org/W2048214699","https://openalex.org/W2049885874","https://openalex.org/W2065838297","https://openalex.org/W2077804275","https://openalex.org/W2078585784","https://openalex.org/W2079001851","https://openalex.org/W2083526450","https://openalex.org/W2087047683","https://openalex.org/W2093239060","https://openalex.org/W2110841878","https://openalex.org/W2114869204","https://openalex.org/W2117022661","https://openalex.org/W2118233996","https://openalex.org/W2120772351","https://openalex.org/W2127732584","https://openalex.org/W2132629607","https://openalex.org/W2136803839","https://openalex.org/W2146766712","https://openalex.org/W2147993766","https://openalex.org/W2164452916","https://openalex.org/W2169816570","https://openalex.org/W2201103592","https://openalex.org/W2949112834"],"related_works":["https://openalex.org/W2899084033","https://openalex.org/W2748952813","https://openalex.org/W2081035100","https://openalex.org/W3206324740","https://openalex.org/W1980377213","https://openalex.org/W2497175360","https://openalex.org/W2952244581","https://openalex.org/W2416306772","https://openalex.org/W2530991042","https://openalex.org/W2029035502"],"abstract_inverted_index":null,"counts_by_year":[{"year":2022,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":2}],"updated_date":"2026-01-13T01:12:25.745995","created_date":"2025-10-10T00:00:00"}
