{"id":"https://openalex.org/W7134829668","doi":"https://doi.org/10.1007/s10822-026-00781-x","title":"Advances in computational prediction of RNA-small molecule binding affinity","display_name":"Advances in computational prediction of RNA-small molecule binding affinity","publication_year":2026,"publication_date":"2026-03-10","ids":{"openalex":"https://openalex.org/W7134829668","doi":"https://doi.org/10.1007/s10822-026-00781-x","pmid":"https://pubmed.ncbi.nlm.nih.gov/41803448"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-026-00781-x","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-026-00781-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":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5099094748","display_name":"Stalin Arulsamy","orcid":null},"institutions":[{"id":"https://openalex.org/I110360157","display_name":"Lovely Professional University","ror":"https://ror.org/00et6q107","country_code":"IN","type":"education","lineage":["https://openalex.org/I110360157"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Stalin Arulsamy","raw_affiliation_strings":["School of Pharmaceutical Sciences, Lovely Professional University, Jalandhar-Delhi G.T. Road, Phagwara, Punjab, 144411, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Pharmaceutical Sciences, Lovely Professional University, Jalandhar-Delhi G.T. Road, Phagwara, Punjab, 144411, India","institution_ids":["https://openalex.org/I110360157"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5109680230","display_name":"Pinky Arora","orcid":null},"institutions":[{"id":"https://openalex.org/I110360157","display_name":"Lovely Professional University","ror":"https://ror.org/00et6q107","country_code":"IN","type":"education","lineage":["https://openalex.org/I110360157"]},{"id":"https://openalex.org/I4210149275","display_name":"Public Works Department Buildings and Roads","ror":"https://ror.org/05bgbfq25","country_code":"IN","type":"government","lineage":["https://openalex.org/I4210149275"]},{"id":"https://openalex.org/I899646","display_name":"Punjab Agricultural University","ror":"https://ror.org/02qbzdk74","country_code":"IN","type":"education","lineage":["https://openalex.org/I899646"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Pinky Arora","raw_affiliation_strings":["School of Allied Health Sciences, CT University, Ludhiana, Punjab, 142024, India","School of Bioengineering and Biosciences, Lovely Professional University, Jalandhar-Delhi G.T. Road, Phagwara, Punjab, 144411, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Allied Health Sciences, CT University, Ludhiana, Punjab, 142024, India","institution_ids":["https://openalex.org/I4210149275","https://openalex.org/I899646"]},{"raw_affiliation_string":"School of Bioengineering and Biosciences, Lovely Professional University, Jalandhar-Delhi G.T. Road, Phagwara, Punjab, 144411, India","institution_ids":["https://openalex.org/I110360157"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5100755125","display_name":"Shubham Kumar","orcid":"https://orcid.org/0000-0002-1884-8312"},"institutions":[{"id":"https://openalex.org/I110360157","display_name":"Lovely Professional University","ror":"https://ror.org/00et6q107","country_code":"IN","type":"education","lineage":["https://openalex.org/I110360157"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Shubham Kumar","raw_affiliation_strings":["School of Pharmaceutical Sciences, Lovely Professional University, Jalandhar-Delhi G.T. Road, Phagwara, Punjab, 144411, India. shubhamm771@gmail.com"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Pharmaceutical Sciences, Lovely Professional University, Jalandhar-Delhi G.T. Road, Phagwara, Punjab, 144411, India. shubhamm771@gmail.com","institution_ids":["https://openalex.org/I110360157"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5100755125"],"corresponding_institution_ids":["https://openalex.org/I110360157"],"apc_list":{"value":3690,"currency":"USD","value_usd":3690},"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.18922617,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"40","issue":"1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10521","display_name":"RNA and protein synthesis mechanisms","score":0.5874999761581421,"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/T10521","display_name":"RNA and protein synthesis mechanisms","score":0.5874999761581421,"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/T10604","display_name":"RNA Research and Splicing","score":0.0885000005364418,"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/T12254","display_name":"Machine Learning in Bioinformatics","score":0.08579999953508377,"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/molecule","display_name":"Molecule","score":0.31529998779296875},{"id":"https://openalex.org/keywords/plasma-protein-binding","display_name":"Plasma protein binding","score":0.27250000834465027},{"id":"https://openalex.org/keywords/sequence","display_name":"Sequence (biology)","score":0.2451000064611435},{"id":"https://openalex.org/keywords/computational-model","display_name":"Computational model","score":0.23649999499320984}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6033999919891357},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3564000129699707},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.31529998779296875},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.27709999680519104},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.2757999897003174},{"id":"https://openalex.org/C51639874","wikidata":"https://www.wikidata.org/wiki/Q167149","display_name":"Plasma protein binding","level":2,"score":0.27250000834465027},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.25850000977516174},{"id":"https://openalex.org/C2778112365","wikidata":"https://www.wikidata.org/wiki/Q3511065","display_name":"Sequence (biology)","level":2,"score":0.2451000064611435},{"id":"https://openalex.org/C66024118","wikidata":"https://www.wikidata.org/wiki/Q1122506","display_name":"Computational model","level":2,"score":0.23649999499320984},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.22789999842643738}],"mesh":[{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000077321","descriptor_name":"Deep Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000077321","descriptor_name":"Deep Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000098422","descriptor_name":"Graph Neural Networks","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000098422","descriptor_name":"Graph Neural Networks","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":"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":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009690","descriptor_name":"Nucleic Acid Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009690","descriptor_name":"Nucleic Acid Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012313","descriptor_name":"RNA","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D012313","descriptor_name":"RNA","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D012313","descriptor_name":"RNA","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D012313","descriptor_name":"RNA","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","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":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1007/s10822-026-00781-x","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-026-00781-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:41803448","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/41803448","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":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":66,"referenced_works":["https://openalex.org/W182661254","https://openalex.org/W1542426682","https://openalex.org/W1936171120","https://openalex.org/W1951188479","https://openalex.org/W2009349503","https://openalex.org/W2021653190","https://openalex.org/W2028026529","https://openalex.org/W2053717624","https://openalex.org/W2084014179","https://openalex.org/W2088384373","https://openalex.org/W2106951652","https://openalex.org/W2112901195","https://openalex.org/W2113790776","https://openalex.org/W2118902684","https://openalex.org/W2130886644","https://openalex.org/W2144487750","https://openalex.org/W2151859311","https://openalex.org/W2168909179","https://openalex.org/W2170467298","https://openalex.org/W2228058700","https://openalex.org/W2259938310","https://openalex.org/W2513801120","https://openalex.org/W2747225324","https://openalex.org/W2795531081","https://openalex.org/W2820941669","https://openalex.org/W2911947907","https://openalex.org/W2947497907","https://openalex.org/W2949983130","https://openalex.org/W2999245166","https://openalex.org/W3005043246","https://openalex.org/W3013781651","https://openalex.org/W3047556542","https://openalex.org/W3081764663","https://openalex.org/W3111162460","https://openalex.org/W3124989895","https://openalex.org/W3140330522","https://openalex.org/W3151148247","https://openalex.org/W3174030546","https://openalex.org/W3183098094","https://openalex.org/W4233117784","https://openalex.org/W4242687385","https://openalex.org/W4311860580","https://openalex.org/W4317776906","https://openalex.org/W4321004126","https://openalex.org/W4321615987","https://openalex.org/W4377093183","https://openalex.org/W4380739447","https://openalex.org/W4385784033","https://openalex.org/W4389836921","https://openalex.org/W4391132552","https://openalex.org/W4393055202","https://openalex.org/W4394014753","https://openalex.org/W4399873202","https://openalex.org/W4399880448","https://openalex.org/W4402689955","https://openalex.org/W4402922587","https://openalex.org/W4404377730","https://openalex.org/W4406942799","https://openalex.org/W4407597143","https://openalex.org/W4407682682","https://openalex.org/W4407973605","https://openalex.org/W4408712111","https://openalex.org/W4409147797","https://openalex.org/W4409761100","https://openalex.org/W4411698377","https://openalex.org/W4411886797"],"related_works":[],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2026-08-19T15:00:24.278416","created_date":"2026-03-11T00:00:00"}
