{"id":"https://openalex.org/W2778675414","doi":"https://doi.org/10.1007/s10822-017-0091-9","title":"Atomistic computer simulations on multi-loaded PAMAM dendrimers: a comparison of amine- and hydroxyl-terminated dendrimers","display_name":"Atomistic computer simulations on multi-loaded PAMAM dendrimers: a comparison of amine- and hydroxyl-terminated dendrimers","publication_year":2017,"publication_date":"2017-12-01","ids":{"openalex":"https://openalex.org/W2778675414","doi":"https://doi.org/10.1007/s10822-017-0091-9","mag":"2778675414","pmid":"https://pubmed.ncbi.nlm.nih.gov/29260350"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-017-0091-9","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-017-0091-9","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/A5027486518","display_name":"Farideh Badalkhani\u2010Khamseh","orcid":"https://orcid.org/0000-0002-5880-5608"},"institutions":[{"id":"https://openalex.org/I1516879","display_name":"Tarbiat Modares University","ror":"https://ror.org/03mwgfy56","country_code":"IR","type":"education","lineage":["https://openalex.org/I1516879"]}],"countries":["IR"],"is_corresponding":false,"raw_author_name":"Farideh Badalkhani-Khamseh","raw_affiliation_strings":["Department of Physical Chemistry, Faculty of Science, Tarbiat Modares University, P.O. Box 14115-175, Tehran, Iran"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physical Chemistry, Faculty of Science, Tarbiat Modares University, P.O. Box 14115-175, Tehran, Iran","institution_ids":["https://openalex.org/I1516879"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5077484791","display_name":"Azadeh Ebrahim\u2010Habibi","orcid":"https://orcid.org/0000-0002-8993-4859"},"institutions":[{"id":"https://openalex.org/I70640408","display_name":"Tehran University of Medical Sciences","ror":"https://ror.org/01c4pz451","country_code":"IR","type":"education","lineage":["https://openalex.org/I70640408"]}],"countries":["IR"],"is_corresponding":false,"raw_author_name":"Azadeh Ebrahim-Habibi","raw_affiliation_strings":["Biosensor Research Center, Endocrinology and Metabolism Molecular-Cellular Sciences Institute, Tehran University of Medical Sciences, Tehran, Iran","Endocrinology and Metabolism Research Center, Endocrinology and Metabolism Clinical Sciences Institute, Tehran University of Medical Sciences, Tehran, Iran"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Biosensor Research Center, Endocrinology and Metabolism Molecular-Cellular Sciences Institute, Tehran University of Medical Sciences, Tehran, Iran","institution_ids":["https://openalex.org/I70640408"]},{"raw_affiliation_string":"Endocrinology and Metabolism Research Center, Endocrinology and Metabolism Clinical Sciences Institute, Tehran University of Medical Sciences, Tehran, Iran","institution_ids":["https://openalex.org/I70640408"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5049427989","display_name":"Nasser L. Hadipour","orcid":"https://orcid.org/0000-0002-6759-6043"},"institutions":[{"id":"https://openalex.org/I1516879","display_name":"Tarbiat Modares University","ror":"https://ror.org/03mwgfy56","country_code":"IR","type":"education","lineage":["https://openalex.org/I1516879"]}],"countries":["IR"],"is_corresponding":true,"raw_author_name":"Nasser L. Hadipour","raw_affiliation_strings":["Department of Physical Chemistry, Faculty of Science, Tarbiat Modares University, P.O. Box 14115-175, Tehran, Iran. hadipour@modares.ac.ir","Department of Physical Chemistry, Faculty of Science, Tarbiat Modares University, P.O. Box 14115-175, Tehran, Iran"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physical Chemistry, Faculty of Science, Tarbiat Modares University, P.O. Box 14115-175, Tehran, Iran. hadipour@modares.ac.ir","institution_ids":["https://openalex.org/I1516879"]},{"raw_affiliation_string":"Department of Physical Chemistry, Faculty of Science, Tarbiat Modares University, P.O. Box 14115-175, Tehran, Iran","institution_ids":["https://openalex.org/I1516879"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5049427989"],"corresponding_institution_ids":["https://openalex.org/I1516879"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":0.8013,"has_fulltext":false,"cited_by_count":32,"citation_normalized_percentile":{"value":0.69948386,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"31","issue":"12","first_page":"1097","last_page":"1111"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11686","display_name":"Dendrimers and Hyperbranched Polymers","score":1.0,"subfield":{"id":"https://openalex.org/subfields/2507","display_name":"Polymers and Plastics"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11686","display_name":"Dendrimers and Hyperbranched Polymers","score":1.0,"subfield":{"id":"https://openalex.org/subfields/2507","display_name":"Polymers and Plastics"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10725","display_name":"RNA Interference and Gene Delivery","score":0.9940000176429749,"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/T10859","display_name":"Polymer Surface Interaction Studies","score":0.9918000102043152,"subfield":{"id":"https://openalex.org/subfields/2508","display_name":"Surfaces, Coatings and Films"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/dendrimer","display_name":"Dendrimer","score":0.9814729690551758},{"id":"https://openalex.org/keywords/isothermal-titration-calorimetry","display_name":"Isothermal titration calorimetry","score":0.7574558258056641},{"id":"https://openalex.org/keywords/amidoamine","display_name":"Amidoamine","score":0.6734910011291504},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.6431865692138672},{"id":"https://openalex.org/keywords/hydrogen-bond","display_name":"Hydrogen bond","score":0.6153075098991394},{"id":"https://openalex.org/keywords/amine-gas-treating","display_name":"Amine gas treating","score":0.5298542380332947},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.48280060291290283},{"id":"https://openalex.org/keywords/surface-modification","display_name":"Surface modification","score":0.46862366795539856},{"id":"https://openalex.org/keywords/van-der-waals-force","display_name":"van der Waals force","score":0.4632173180580139},{"id":"https://openalex.org/keywords/intermolecular-force","display_name":"Intermolecular force","score":0.4276205599308014},{"id":"https://openalex.org/keywords/polymer-chemistry","display_name":"Polymer chemistry","score":0.42407795786857605},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.42234504222869873},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.4183543622493744},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.2785189151763916},{"id":"https://openalex.org/keywords/physical-chemistry","display_name":"Physical chemistry","score":0.2627529799938202},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.22987115383148193}],"concepts":[{"id":"https://openalex.org/C55637122","wikidata":"https://www.wikidata.org/wiki/Q903923","display_name":"Dendrimer","level":2,"score":0.9814729690551758},{"id":"https://openalex.org/C156911925","wikidata":"https://www.wikidata.org/wiki/Q643384","display_name":"Isothermal titration calorimetry","level":2,"score":0.7574558258056641},{"id":"https://openalex.org/C2779158978","wikidata":"https://www.wikidata.org/wiki/Q4746162","display_name":"Amidoamine","level":3,"score":0.6734910011291504},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.6431865692138672},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.6153075098991394},{"id":"https://openalex.org/C131779359","wikidata":"https://www.wikidata.org/wiki/Q471875","display_name":"Amine gas treating","level":2,"score":0.5298542380332947},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.48280060291290283},{"id":"https://openalex.org/C115537861","wikidata":"https://www.wikidata.org/wiki/Q7645993","display_name":"Surface modification","level":2,"score":0.46862366795539856},{"id":"https://openalex.org/C126061179","wikidata":"https://www.wikidata.org/wiki/Q189627","display_name":"van der Waals force","level":3,"score":0.4632173180580139},{"id":"https://openalex.org/C166950319","wikidata":"https://www.wikidata.org/wiki/Q245031","display_name":"Intermolecular force","level":3,"score":0.4276205599308014},{"id":"https://openalex.org/C188027245","wikidata":"https://www.wikidata.org/wiki/Q750446","display_name":"Polymer chemistry","level":1,"score":0.42407795786857605},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.42234504222869873},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.4183543622493744},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.2785189151763916},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.2627529799938202},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.22987115383148193}],"mesh":[{"descriptor_ui":"D000588","descriptor_name":"Amines","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000588","descriptor_name":"Amines","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000588","descriptor_name":"Amines","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004337","descriptor_name":"Drug Carriers","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004337","descriptor_name":"Drug Carriers","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004337","descriptor_name":"Drug Carriers","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004364","descriptor_name":"Pharmaceutical Preparations","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D006878","descriptor_name":"Hydroxides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006878","descriptor_name":"Hydroxides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006878","descriptor_name":"Hydroxides","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":"D050091","descriptor_name":"Dendrimers","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D050091","descriptor_name":"Dendrimers","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D050091","descriptor_name":"Dendrimers","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":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}],"locations_count":2,"locations":[{"id":"doi:10.1007/s10822-017-0091-9","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-017-0091-9","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:29260350","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/29260350","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}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":61,"referenced_works":["https://openalex.org/W1031578623","https://openalex.org/W1964607845","https://openalex.org/W1965800158","https://openalex.org/W1971736286","https://openalex.org/W1971955253","https://openalex.org/W1972550367","https://openalex.org/W1974322101","https://openalex.org/W1976153850","https://openalex.org/W1976915466","https://openalex.org/W1980627211","https://openalex.org/W1981116681","https://openalex.org/W1983423859","https://openalex.org/W1989086045","https://openalex.org/W1991232256","https://openalex.org/W1997708376","https://openalex.org/W1998676149","https://openalex.org/W2008526559","https://openalex.org/W2013312316","https://openalex.org/W2017953869","https://openalex.org/W2018641227","https://openalex.org/W2020373947","https://openalex.org/W2022950330","https://openalex.org/W2024141686","https://openalex.org/W2029667189","https://openalex.org/W2032675837","https://openalex.org/W2040198547","https://openalex.org/W2042940583","https://openalex.org/W2043673208","https://openalex.org/W2044172327","https://openalex.org/W2050528759","https://openalex.org/W2060279237","https://openalex.org/W2068055627","https://openalex.org/W2068272967","https://openalex.org/W2080534144","https://openalex.org/W2085667054","https://openalex.org/W2086069830","https://openalex.org/W2087212977","https://openalex.org/W2088467380","https://openalex.org/W2098291517","https://openalex.org/W2099384430","https://openalex.org/W2101621191","https://openalex.org/W2102323152","https://openalex.org/W2109964767","https://openalex.org/W2110077313","https://openalex.org/W2121084054","https://openalex.org/W2129190646","https://openalex.org/W2139957453","https://openalex.org/W2144288821","https://openalex.org/W2145010618","https://openalex.org/W2146642389","https://openalex.org/W2148602485","https://openalex.org/W2155364192","https://openalex.org/W2167029191","https://openalex.org/W2313304731","https://openalex.org/W2320254714","https://openalex.org/W2322501730","https://openalex.org/W2323033888","https://openalex.org/W2332015626","https://openalex.org/W2415245575","https://openalex.org/W2508839905","https://openalex.org/W2697399851"],"related_works":["https://openalex.org/W2150863825","https://openalex.org/W2035799224","https://openalex.org/W2736209529","https://openalex.org/W1987114506","https://openalex.org/W2144450494","https://openalex.org/W4309096711","https://openalex.org/W2137229113","https://openalex.org/W1966391036","https://openalex.org/W2348082060","https://openalex.org/W1984812184"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":6},{"year":2023,"cited_by_count":4},{"year":2022,"cited_by_count":8},{"year":2021,"cited_by_count":5},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":2},{"year":2018,"cited_by_count":1}],"updated_date":"2026-06-19T15:47:20.252518","created_date":"2025-10-10T00:00:00"}
