{"id":"https://openalex.org/W3013389705","doi":"https://doi.org/10.1016/j.jmgm.2020.107590","title":"Assessment of the conformational profile of bombesin by computational methods","display_name":"Assessment of the conformational profile of bombesin by computational methods","publication_year":2020,"publication_date":"2020-03-24","ids":{"openalex":"https://openalex.org/W3013389705","doi":"https://doi.org/10.1016/j.jmgm.2020.107590","mag":"3013389705","pmid":"https://pubmed.ncbi.nlm.nih.gov/32234677"},"language":"en","primary_location":{"id":"doi:10.1016/j.jmgm.2020.107590","doi":"https://doi.org/10.1016/j.jmgm.2020.107590","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.jmgm.2020.107590","pdf_url":null,"source":{"id":"https://openalex.org/S76694907","display_name":"Journal of Molecular Graphics and Modelling","issn_l":"1093-3263","issn":["1093-3263","1873-4243"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","ki-jl-1","medline","norway-1","poland-70","russia-white-list-1"],"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":"Journal of Molecular Graphics and Modelling","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"http://hdl.handle.net/2117/327040","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5081226452","display_name":"Abel Valverde","orcid":"https://orcid.org/0000-0002-0179-117X","observed_orcids":["https://orcid.org/0000-0002-0179-117X"]},"institutions":[{"id":"https://openalex.org/I9617848","display_name":"Universitat Polit\u00e8cnica de Catalunya","ror":"https://ror.org/03mb6wj31","country_code":"ES","type":"education","lineage":["https://openalex.org/I9617848"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Abel Valverde","raw_affiliation_strings":["Dept. of Chemical Engineering, ETSEIB, Universitat Politecnica de Catalunya, Av. Diagonal, 647, 08028, Barcelona, Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dept. of Chemical Engineering, ETSEIB, Universitat Politecnica de Catalunya, Av. Diagonal, 647, 08028, Barcelona, Spain","institution_ids":["https://openalex.org/I9617848"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5068474716","display_name":"Patricia G\u00f3mez\u2010Gutierrez","orcid":"https://orcid.org/0000-0002-8887-9704","observed_orcids":["https://orcid.org/0000-0002-8887-9704"]},"institutions":[{"id":"https://openalex.org/I9617848","display_name":"Universitat Polit\u00e8cnica de Catalunya","ror":"https://ror.org/03mb6wj31","country_code":"ES","type":"education","lineage":["https://openalex.org/I9617848"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Patricia Gomez-Gutierrez","raw_affiliation_strings":["Dept. of Chemical Engineering, ETSEIB, Universitat Politecnica de Catalunya, Av. Diagonal, 647, 08028, Barcelona, Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dept. of Chemical Engineering, ETSEIB, Universitat Politecnica de Catalunya, Av. Diagonal, 647, 08028, Barcelona, Spain","institution_ids":["https://openalex.org/I9617848"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5013455255","display_name":"Juan Jes\u00fas P\u00e9rez","orcid":"https://orcid.org/0000-0002-0748-8147","observed_orcids":["https://orcid.org/0000-0002-0748-8147"]},"institutions":[{"id":"https://openalex.org/I9617848","display_name":"Universitat Polit\u00e8cnica de Catalunya","ror":"https://ror.org/03mb6wj31","country_code":"ES","type":"education","lineage":["https://openalex.org/I9617848"]}],"countries":["ES"],"is_corresponding":true,"raw_author_name":"Juan J. Perez","raw_affiliation_strings":["Dept. of Chemical Engineering, ETSEIB, Universitat Politecnica de Catalunya, Av. Diagonal, 647, 08028, Barcelona, Spain. Electronic address: juan.jesus.perez@upc.edu","Dept. of Chemical Engineering, ETSEIB, Universitat Politecnica de Catalunya, Av. Diagonal, 647, 08028, Barcelona, Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dept. of Chemical Engineering, ETSEIB, Universitat Politecnica de Catalunya, Av. Diagonal, 647, 08028, Barcelona, Spain. Electronic address: juan.jesus.perez@upc.edu","institution_ids":["https://openalex.org/I9617848"]},{"raw_affiliation_string":"Dept. of Chemical Engineering, ETSEIB, Universitat Politecnica de Catalunya, Av. Diagonal, 647, 08028, Barcelona, Spain","institution_ids":["https://openalex.org/I9617848"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5013455255"],"corresponding_institution_ids":["https://openalex.org/I9617848"],"apc_list":{"value":2770,"currency":"USD","value_usd":2770},"apc_paid":null,"fwci":0.2859,"has_fulltext":false,"cited_by_count":4,"citation_normalized_percentile":{"value":0.43018423,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":87,"max":93},"biblio":{"volume":"98","issue":null,"first_page":"107590","last_page":"107590"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9980000257492065,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9980000257492065,"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/T10911","display_name":"Chemical Synthesis and Analysis","score":0.0013000000035390258,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.00019999999494757503,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/bombesin","display_name":"bombesin","score":1.0},{"id":"https://openalex.org/keywords/peptide-conformation","display_name":"peptide conformation","score":0.8619999885559082},{"id":"https://openalex.org/keywords/conformational-ensembles","display_name":"conformational ensembles","score":0.6909999847412109},{"id":"https://openalex.org/keywords/helical-structure","display_name":"helical conformation","score":0.6439999938011169},{"id":"https://openalex.org/keywords/hairpin-turn","display_name":"hairpin turn","score":0.890999972820282},{"id":"https://openalex.org/keywords/peptide-dynamics","display_name":"peptide dynamics","score":0.4620000123977661},{"id":"https://openalex.org/keywords/trifluoroethanol","display_name":"trifluoroethanol","score":0.8640000224113464},{"id":"https://openalex.org/keywords/accelerated-molecular-dynamics","display_name":"accelerated molecular dynamics","score":0.6549999713897705}],"concepts":[{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.7631403207778931},{"id":"https://openalex.org/C2779281246","wikidata":"https://www.wikidata.org/wiki/Q172847","display_name":"Peptide","level":2,"score":0.6918766498565674},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6245167255401611},{"id":"https://openalex.org/C2778448772","wikidata":"https://www.wikidata.org/wiki/Q349427","display_name":"Bombesin","level":4,"score":0.6013436913490295},{"id":"https://openalex.org/C2778530040","wikidata":"https://www.wikidata.org/wiki/Q1937315","display_name":"Helix (gastropod)","level":3,"score":0.5833855271339417},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.46666115522384644},{"id":"https://openalex.org/C2780471494","wikidata":"https://www.wikidata.org/wiki/Q146505","display_name":"Solvent","level":2,"score":0.4313046336174011},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.41290441155433655},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3430725932121277},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.11461207270622253},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.06840994954109192},{"id":"https://openalex.org/C2779965526","wikidata":"https://www.wikidata.org/wiki/Q308841","display_name":"Snail","level":2,"score":0.0},{"id":"https://openalex.org/C18903297","wikidata":"https://www.wikidata.org/wiki/Q7150","display_name":"Ecology","level":1,"score":0.0},{"id":"https://openalex.org/C118303440","wikidata":"https://www.wikidata.org/wiki/Q419968","display_name":"Neuropeptide","level":3,"score":0.0},{"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":"D001839","descriptor_name":"Bombesin","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017433","descriptor_name":"Protein Structure, Secondary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1016/j.jmgm.2020.107590","doi":"https://doi.org/10.1016/j.jmgm.2020.107590","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.jmgm.2020.107590","pdf_url":null,"source":{"id":"https://openalex.org/S76694907","display_name":"Journal of Molecular Graphics and Modelling","issn_l":"1093-3263","issn":["1093-3263","1873-4243"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","ki-jl-1","medline","norway-1","poland-70","russia-white-list-1"],"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":"Journal of Molecular Graphics and Modelling","raw_type":"journal-article"},{"id":"pmid:32234677","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/32234677","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,"listed_in":[],"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 molecular graphics & modelling","raw_type":"Journal Article"},{"id":"pmh:oai:upcommons.upc.edu:2117/327040","doi":null,"is_oa":true,"landing_page_url":"http://hdl.handle.net/2117/327040","pdf_url":null,"source":{"id":"https://openalex.org/S4377196262","display_name":"UPCommons institutional repository (Universitat Polit\u00e8cnica de Catalunya)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I9617848","host_organization_name":"Universitat Polit\u00e8cnica de Catalunya","host_organization_lineage":["https://openalex.org/I9617848"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Article"}],"best_oa_location":{"id":"pmh:oai:upcommons.upc.edu:2117/327040","doi":null,"is_oa":true,"landing_page_url":"http://hdl.handle.net/2117/327040","pdf_url":null,"source":{"id":"https://openalex.org/S4377196262","display_name":"UPCommons institutional repository (Universitat Polit\u00e8cnica de Catalunya)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I9617848","host_organization_name":"Universitat Polit\u00e8cnica de Catalunya","host_organization_lineage":["https://openalex.org/I9617848"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":41,"referenced_works":["https://openalex.org/W48182296","https://openalex.org/W1562273048","https://openalex.org/W1844689840","https://openalex.org/W1973185006","https://openalex.org/W1974094437","https://openalex.org/W1975734016","https://openalex.org/W1976499671","https://openalex.org/W1976765306","https://openalex.org/W1978310995","https://openalex.org/W1988899042","https://openalex.org/W1992435375","https://openalex.org/W1992899488","https://openalex.org/W1998368556","https://openalex.org/W2016284147","https://openalex.org/W2016381774","https://openalex.org/W2037561928","https://openalex.org/W2045687112","https://openalex.org/W2047490982","https://openalex.org/W2053627817","https://openalex.org/W2058884803","https://openalex.org/W2061912271","https://openalex.org/W2062098928","https://openalex.org/W2065571239","https://openalex.org/W2065916228","https://openalex.org/W2068484878","https://openalex.org/W2070791050","https://openalex.org/W2072064360","https://openalex.org/W2074160718","https://openalex.org/W2075012754","https://openalex.org/W2078381333","https://openalex.org/W2138853542","https://openalex.org/W2144288821","https://openalex.org/W2145661651","https://openalex.org/W2152791137","https://openalex.org/W2418900977","https://openalex.org/W2511010414","https://openalex.org/W2525779167","https://openalex.org/W2915001494","https://openalex.org/W2948728900","https://openalex.org/W4252704769","https://openalex.org/W6633573093"],"related_works":["https://openalex.org/W2047490982","https://openalex.org/W1988899042","https://openalex.org/W2016284147","https://openalex.org/W1998368556","https://openalex.org/W6962914973","https://openalex.org/W1992435375","https://openalex.org/W1991877201","https://openalex.org/W4308772048","https://openalex.org/W1979887737","https://openalex.org/W1924806907"],"abstract_inverted_index":null,"counts_by_year":[{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":1}],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2020-04-03T00:00:00"}
