{"id":"https://openalex.org/W4403904228","doi":"https://doi.org/10.1016/j.compbiolchem.2024.108262","title":"AI screening and molecular dynamic simulation-driven identification of novel inhibitors of TGF\u00dfR1 for pancreatic cancer therapy","display_name":"AI screening and molecular dynamic simulation-driven identification of novel inhibitors of TGF\u00dfR1 for pancreatic cancer therapy","publication_year":2024,"publication_date":"2024-10-30","ids":{"openalex":"https://openalex.org/W4403904228","doi":"https://doi.org/10.1016/j.compbiolchem.2024.108262","pmid":"https://pubmed.ncbi.nlm.nih.gov/39488933"},"language":"en","primary_location":{"id":"doi:10.1016/j.compbiolchem.2024.108262","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.compbiolchem.2024.108262","pdf_url":null,"source":{"id":"https://openalex.org/S104924063","display_name":"Computational Biology and Chemistry","issn_l":"1476-9271","issn":["1476-9271","1476-928X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computational Biology and Chemistry","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/A5059412499","display_name":"Samvedna Singh","orcid":"https://orcid.org/0000-0001-5487-1184"},"institutions":[{"id":"https://openalex.org/I72769676","display_name":"Gautam Buddha University","ror":"https://ror.org/026cfwd52","country_code":"IN","type":"education","lineage":["https://openalex.org/I72769676"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Samvedna Singh","raw_affiliation_strings":["School of Biotechnology, Gautam Buddha University, Greater Noida, UP, India"],"raw_orcid":"https://orcid.org/0000-0001-5487-1184","affiliations":[{"raw_affiliation_string":"School of Biotechnology, Gautam Buddha University, Greater Noida, UP, India","institution_ids":["https://openalex.org/I72769676"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007892346","display_name":"Kiran Bharat Lokhande","orcid":"https://orcid.org/0000-0001-6945-8288"},"institutions":[{"id":"https://openalex.org/I26604189","display_name":"Shiv Nadar University","ror":"https://ror.org/05aqahr97","country_code":"IN","type":"education","lineage":["https://openalex.org/I26604189"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Kiran Bharat Lokhande","raw_affiliation_strings":["Translational Bioinformatics and Computational Genomics Research Lab, Department of Life Sciences, Shiv Nadar Institution of Eminence, Gautam Buddha Nagar, UP, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Translational Bioinformatics and Computational Genomics Research Lab, Department of Life Sciences, Shiv Nadar Institution of Eminence, Gautam Buddha Nagar, UP, India","institution_ids":["https://openalex.org/I26604189"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040534841","display_name":"Aman Chandra Kaushik","orcid":"https://orcid.org/0000-0001-7346-0970"},"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":"Aman Chandra Kaushik","raw_affiliation_strings":["Department of Bioinformatics and Biological Statistics, School of Life Sciences and Biotechnology, Shanghai Jiao Tong University,\u00a0Shanghai,\u00a0China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Bioinformatics and Biological Statistics, School of Life Sciences and Biotechnology, Shanghai Jiao Tong University,\u00a0Shanghai,\u00a0China","institution_ids":["https://openalex.org/I183067930"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102626603","display_name":"Ashutosh Singh","orcid":null},"institutions":[{"id":"https://openalex.org/I26604189","display_name":"Shiv Nadar University","ror":"https://ror.org/05aqahr97","country_code":"IN","type":"education","lineage":["https://openalex.org/I26604189"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Ashutosh Singh","raw_affiliation_strings":["Translational Bioinformatics and Computational Genomics Research Lab, Department of Life Sciences, Shiv Nadar Institution of Eminence, Gautam Buddha Nagar, UP, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Translational Bioinformatics and Computational Genomics Research Lab, Department of Life Sciences, Shiv Nadar Institution of Eminence, Gautam Buddha Nagar, UP, India","institution_ids":["https://openalex.org/I26604189"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5086787416","display_name":"Shakti Sahi","orcid":"https://orcid.org/0000-0002-9931-7993"},"institutions":[{"id":"https://openalex.org/I72769676","display_name":"Gautam Buddha University","ror":"https://ror.org/026cfwd52","country_code":"IN","type":"education","lineage":["https://openalex.org/I72769676"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Shakti Sahi","raw_affiliation_strings":["School of Biotechnology, Gautam Buddha University, Greater Noida, UP, India. Electronic address: shaktis@gbu.ac.in"],"raw_orcid":"https://orcid.org/0000-0002-9931-7993","affiliations":[{"raw_affiliation_string":"School of Biotechnology, Gautam Buddha University, Greater Noida, UP, India. Electronic address: shaktis@gbu.ac.in","institution_ids":["https://openalex.org/I72769676"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5086787416"],"corresponding_institution_ids":["https://openalex.org/I72769676"],"apc_list":{"value":3320,"currency":"USD","value_usd":3320},"apc_paid":null,"fwci":0.9529,"has_fulltext":false,"cited_by_count":6,"citation_normalized_percentile":{"value":0.7414678,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":94,"max":98},"biblio":{"volume":"113","issue":null,"first_page":"108262","last_page":"108262"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11501","display_name":"TGF-\u03b2 signaling in diseases","score":0.996999979019165,"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/T11501","display_name":"TGF-\u03b2 signaling in diseases","score":0.996999979019165,"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/T10336","display_name":"Cancer Cells and Metastasis","score":0.9955000281333923,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T11503","display_name":"Cytokine Signaling Pathways and Interactions","score":0.9936000108718872,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/pancreatic-cancer","display_name":"Pancreatic cancer","score":0.7099846601486206},{"id":"https://openalex.org/keywords/identification","display_name":"Identification (biology)","score":0.6855040788650513},{"id":"https://openalex.org/keywords/cancer","display_name":"Cancer","score":0.4931413531303406},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.48739176988601685},{"id":"https://openalex.org/keywords/transforming-growth-factor","display_name":"Transforming growth factor","score":0.44189807772636414},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.41821327805519104},{"id":"https://openalex.org/keywords/cancer-research","display_name":"Cancer research","score":0.3723048269748688},{"id":"https://openalex.org/keywords/internal-medicine","display_name":"Internal medicine","score":0.33256733417510986},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.3165113925933838},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.31435346603393555},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.286446750164032}],"concepts":[{"id":"https://openalex.org/C2780210213","wikidata":"https://www.wikidata.org/wiki/Q212961","display_name":"Pancreatic cancer","level":3,"score":0.7099846601486206},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.6855040788650513},{"id":"https://openalex.org/C121608353","wikidata":"https://www.wikidata.org/wiki/Q12078","display_name":"Cancer","level":2,"score":0.4931413531303406},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.48739176988601685},{"id":"https://openalex.org/C118131993","wikidata":"https://www.wikidata.org/wiki/Q423671","display_name":"Transforming growth factor","level":2,"score":0.44189807772636414},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.41821327805519104},{"id":"https://openalex.org/C502942594","wikidata":"https://www.wikidata.org/wiki/Q3421914","display_name":"Cancer research","level":1,"score":0.3723048269748688},{"id":"https://openalex.org/C126322002","wikidata":"https://www.wikidata.org/wiki/Q11180","display_name":"Internal medicine","level":1,"score":0.33256733417510986},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.3165113925933838},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.31435346603393555},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.286446750164032},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C59822182","wikidata":"https://www.wikidata.org/wiki/Q441","display_name":"Botany","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000077293","descriptor_name":"Receptor, Transforming Growth Factor-beta Type I","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":true},{"descriptor_ui":"D000077293","descriptor_name":"Receptor, Transforming Growth Factor-beta Type I","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":true},{"descriptor_ui":"D000077293","descriptor_name":"Receptor, Transforming Growth Factor-beta Type I","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":true},{"descriptor_ui":"D000077293","descriptor_name":"Receptor, Transforming Growth Factor-beta Type I","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":true},{"descriptor_ui":"D000077293","descriptor_name":"Receptor, Transforming Growth Factor-beta Type I","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D000077293","descriptor_name":"Receptor, Transforming Growth Factor-beta Type I","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D000077293","descriptor_name":"Receptor, Transforming Growth Factor-beta Type I","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D000077293","descriptor_name":"Receptor, Transforming Growth Factor-beta Type I","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004354","descriptor_name":"Drug Screening Assays, Antitumor","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004354","descriptor_name":"Drug Screening Assays, Antitumor","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004354","descriptor_name":"Drug Screening Assays, Antitumor","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004354","descriptor_name":"Drug Screening Assays, Antitumor","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":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010190","descriptor_name":"Pancreatic Neoplasms","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":true},{"descriptor_ui":"D010190","descriptor_name":"Pancreatic Neoplasms","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":true},{"descriptor_ui":"D010190","descriptor_name":"Pancreatic Neoplasms","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":true},{"descriptor_ui":"D010190","descriptor_name":"Pancreatic Neoplasms","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":true},{"descriptor_ui":"D010190","descriptor_name":"Pancreatic Neoplasms","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D010190","descriptor_name":"Pancreatic Neoplasms","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D010190","descriptor_name":"Pancreatic Neoplasms","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D010190","descriptor_name":"Pancreatic Neoplasms","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"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":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"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":"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":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","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},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1016/j.compbiolchem.2024.108262","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.compbiolchem.2024.108262","pdf_url":null,"source":{"id":"https://openalex.org/S104924063","display_name":"Computational Biology and Chemistry","issn_l":"1476-9271","issn":["1476-9271","1476-928X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computational Biology and Chemistry","raw_type":"journal-article"},{"id":"pmid:39488933","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/39488933","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":"Computational biology and chemistry","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.6899999976158142,"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":51,"referenced_works":["https://openalex.org/W1981737096","https://openalex.org/W2069506489","https://openalex.org/W2079888878","https://openalex.org/W2089487742","https://openalex.org/W2105649494","https://openalex.org/W2132589721","https://openalex.org/W2139942857","https://openalex.org/W2160310346","https://openalex.org/W2163797065","https://openalex.org/W2578788269","https://openalex.org/W2769775214","https://openalex.org/W2777478371","https://openalex.org/W2794847062","https://openalex.org/W2954094311","https://openalex.org/W3000058071","https://openalex.org/W3016181576","https://openalex.org/W3021202453","https://openalex.org/W3023085122","https://openalex.org/W3044762644","https://openalex.org/W3080592806","https://openalex.org/W3131943919","https://openalex.org/W3149078497","https://openalex.org/W3149714833","https://openalex.org/W3154258817","https://openalex.org/W3156497785","https://openalex.org/W3168436232","https://openalex.org/W3184940779","https://openalex.org/W3207231649","https://openalex.org/W4205867206","https://openalex.org/W4248107770","https://openalex.org/W4280509181","https://openalex.org/W4309570858","https://openalex.org/W4310211625","https://openalex.org/W4311612485","https://openalex.org/W4315754639","https://openalex.org/W4321995862","https://openalex.org/W4323318447","https://openalex.org/W4365149236","https://openalex.org/W4366494265","https://openalex.org/W4367049415","https://openalex.org/W4379095278","https://openalex.org/W4385950555","https://openalex.org/W4389956230","https://openalex.org/W4391514138","https://openalex.org/W4394579955","https://openalex.org/W4394853416","https://openalex.org/W4400079476","https://openalex.org/W6753404807","https://openalex.org/W6776778290","https://openalex.org/W6793301104","https://openalex.org/W6859863161"],"related_works":["https://openalex.org/W2012081960","https://openalex.org/W2079105677","https://openalex.org/W3160432000","https://openalex.org/W3028147324","https://openalex.org/W2971868466","https://openalex.org/W3201399084","https://openalex.org/W4221015902","https://openalex.org/W2348276370","https://openalex.org/W2072687151","https://openalex.org/W3038917638"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":5}],"updated_date":"2026-08-21T09:56:20.448147","created_date":"2025-10-10T00:00:00"}