{"id":"https://openalex.org/W2567301429","doi":"https://doi.org/10.1016/j.jmgm.2016.12.009","title":"First principles study for the key electronic, optical and nonlinear optical properties of novel donor-acceptor chalcones","display_name":"First principles study for the key electronic, optical and nonlinear optical properties of novel donor-acceptor chalcones","publication_year":2016,"publication_date":"2016-12-14","ids":{"openalex":"https://openalex.org/W2567301429","doi":"https://doi.org/10.1016/j.jmgm.2016.12.009","mag":"2567301429","pmid":"https://pubmed.ncbi.nlm.nih.gov/28064080"},"language":"en","primary_location":{"id":"doi:10.1016/j.jmgm.2016.12.009","doi":"https://doi.org/10.1016/j.jmgm.2016.12.009","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.jmgm.2016.12.009","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","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/A5026212687","display_name":"Shabbir Muhammad","orcid":"https://orcid.org/0000-0003-4908-3313","observed_orcids":["https://orcid.org/0000-0003-4908-3313"]},"institutions":[{"id":"https://openalex.org/I184983240","display_name":"Northeast Normal University","ror":"https://ror.org/02rkvz144","country_code":"CN","type":"education","lineage":["https://openalex.org/I184983240"]},{"id":"https://openalex.org/I82952536","display_name":"King Khalid University","ror":"https://ror.org/052kwzs30","country_code":"SA","type":"education","lineage":["https://openalex.org/I82952536"]}],"countries":["CN","SA"],"is_corresponding":true,"raw_author_name":"Shabbir Muhammad","raw_affiliation_strings":["Institute of Functional Materials Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024, Jilin, People's Republic of China; Department of Physics, Faculty of Science, King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia; Research Center for Advanced Materials Science (RCAMS), King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia. Electronic address: mshabbir@kku.edu.sa","Department of Physics, Faculty of Science, King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia","Institute of Functional Materials Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024, Jilin, People\u2019s Republic of China","Research Center for Advanced Materials Science (RCAMS), King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Functional Materials Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024, Jilin, People's Republic of China; Department of Physics, Faculty of Science, King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia; Research Center for Advanced Materials Science (RCAMS), King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia. Electronic address: mshabbir@kku.edu.sa","institution_ids":["https://openalex.org/I184983240","https://openalex.org/I82952536"]},{"raw_affiliation_string":"Department of Physics, Faculty of Science, King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia","institution_ids":["https://openalex.org/I82952536"]},{"raw_affiliation_string":"Institute of Functional Materials Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024, Jilin, People\u2019s Republic of China","institution_ids":["https://openalex.org/I184983240"]},{"raw_affiliation_string":"Research Center for Advanced Materials Science (RCAMS), King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia","institution_ids":["https://openalex.org/I82952536"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5078102681","display_name":"Abdullah Godran Al-Sehemi","orcid":"https://orcid.org/0000-0002-6793-3038","observed_orcids":["https://orcid.org/0000-0002-6793-3038"]},"institutions":[{"id":"https://openalex.org/I82952536","display_name":"King Khalid University","ror":"https://ror.org/052kwzs30","country_code":"SA","type":"education","lineage":["https://openalex.org/I82952536"]}],"countries":["SA"],"is_corresponding":false,"raw_author_name":"Abdullah G. Al-Sehemi","raw_affiliation_strings":["Research Center for Advanced Materials Science (RCAMS), King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia; Department of Chemistry, Faculty of Science, King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia","Department of Chemistry, Faculty of Science, King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia","Research Center for Advanced Materials Science (RCAMS), King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Research Center for Advanced Materials Science (RCAMS), King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia; Department of Chemistry, Faculty of Science, King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia","institution_ids":["https://openalex.org/I82952536"]},{"raw_affiliation_string":"Department of Chemistry, Faculty of Science, King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia","institution_ids":["https://openalex.org/I82952536"]},{"raw_affiliation_string":"Research Center for Advanced Materials Science (RCAMS), King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia","institution_ids":["https://openalex.org/I82952536"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5109248108","display_name":"Zhong\u2010Min Su","orcid":"https://orcid.org/0000-0002-3342-1966","observed_orcids":["https://orcid.org/0000-0002-3342-1966","https://orcid.org/0000-0003-0156-7191","https://orcid.org/0009-0006-3434-8920","https://orcid.org/0000-0002-7283-1191"]},"institutions":[{"id":"https://openalex.org/I184983240","display_name":"Northeast Normal University","ror":"https://ror.org/02rkvz144","country_code":"CN","type":"education","lineage":["https://openalex.org/I184983240"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhongmin Su","raw_affiliation_strings":["Institute of Functional Materials Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024, Jilin, People's Republic of China","Institute of Functional Materials Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024, Jilin, People\u2019s Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Functional Materials Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024, Jilin, People's Republic of China","institution_ids":["https://openalex.org/I184983240"]},{"raw_affiliation_string":"Institute of Functional Materials Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024, Jilin, People\u2019s Republic of China","institution_ids":["https://openalex.org/I184983240"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007861185","display_name":"Hong\u2010Liang Xu","orcid":"https://orcid.org/0000-0002-4416-3851","observed_orcids":["https://orcid.org/0000-0002-4416-3851"]},"institutions":[{"id":"https://openalex.org/I184983240","display_name":"Northeast Normal University","ror":"https://ror.org/02rkvz144","country_code":"CN","type":"education","lineage":["https://openalex.org/I184983240"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Hongliang Xu","raw_affiliation_strings":["Institute of Functional Materials Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024, Jilin, People's Republic of China. Electronic address: hlxu@nenu.edu.cn","Institute of Functional Materials Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024, Jilin, People\u2019s Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Functional Materials Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024, Jilin, People's Republic of China. Electronic address: hlxu@nenu.edu.cn","institution_ids":["https://openalex.org/I184983240"]},{"raw_affiliation_string":"Institute of Functional Materials Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024, Jilin, People\u2019s Republic of China","institution_ids":["https://openalex.org/I184983240"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5028254909","display_name":"Ahmad Irfan","orcid":"https://orcid.org/0000-0001-6941-6934","observed_orcids":["https://orcid.org/0000-0001-6941-6934"]},"institutions":[{"id":"https://openalex.org/I82952536","display_name":"King Khalid University","ror":"https://ror.org/052kwzs30","country_code":"SA","type":"education","lineage":["https://openalex.org/I82952536"]}],"countries":["SA"],"is_corresponding":false,"raw_author_name":"Ahmad Irfan","raw_affiliation_strings":["Research Center for Advanced Materials Science (RCAMS), King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia; Department of Chemistry, Faculty of Science, King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia","Department of Chemistry, Faculty of Science, King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia","Research Center for Advanced Materials Science (RCAMS), King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Research Center for Advanced Materials Science (RCAMS), King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia; Department of Chemistry, Faculty of Science, King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia","institution_ids":["https://openalex.org/I82952536"]},{"raw_affiliation_string":"Department of Chemistry, Faculty of Science, King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia","institution_ids":["https://openalex.org/I82952536"]},{"raw_affiliation_string":"Research Center for Advanced Materials Science (RCAMS), King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia","institution_ids":["https://openalex.org/I82952536"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5045599700","display_name":"Aijaz Rasool Chaudhry","orcid":"https://orcid.org/0000-0002-0781-0116","observed_orcids":["https://orcid.org/0000-0002-0781-0116"]},"institutions":[{"id":"https://openalex.org/I82952536","display_name":"King Khalid University","ror":"https://ror.org/052kwzs30","country_code":"SA","type":"education","lineage":["https://openalex.org/I82952536"]}],"countries":["SA"],"is_corresponding":false,"raw_author_name":"Aijaz Rasool Chaudhry","raw_affiliation_strings":["Department of Physics, Faculty of Science, King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia; Research Center for Advanced Materials Science (RCAMS), King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia","Department of Physics, Faculty of Science, King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia","Research Center for Advanced Materials Science (RCAMS), King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Faculty of Science, King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia; Research Center for Advanced Materials Science (RCAMS), King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia","institution_ids":["https://openalex.org/I82952536"]},{"raw_affiliation_string":"Department of Physics, Faculty of Science, King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia","institution_ids":["https://openalex.org/I82952536"]},{"raw_affiliation_string":"Research Center for Advanced Materials Science (RCAMS), King Khalid University, Abha 61413, P.O. Box 9004, Saudi Arabia","institution_ids":["https://openalex.org/I82952536"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5007861185","https://openalex.org/A5026212687"],"corresponding_institution_ids":["https://openalex.org/I184983240","https://openalex.org/I82952536"],"apc_list":{"value":3940,"currency":"USD","value_usd":3940},"apc_paid":null,"fwci":2.2884,"has_fulltext":false,"cited_by_count":138,"citation_normalized_percentile":{"value":0.88616686,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":97,"max":100},"biblio":{"volume":"72","issue":null,"first_page":"58","last_page":"69"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11025","display_name":"Nonlinear Optical Materials Research","score":1.0,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"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/T11025","display_name":"Nonlinear Optical Materials Research","score":1.0,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"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/T11788","display_name":"Nonlinear Optical Materials Studies","score":9.999999747378752e-05,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.0,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/chalcones","display_name":"chalcones","score":0.8560000061988831},{"id":"https://openalex.org/keywords/donor-acceptor-molecules","display_name":"donor-acceptor molecules","score":0.9020000100135803},{"id":"https://openalex.org/keywords/nonlinear-optical-properties","display_name":"nonlinear optical properties","score":0.9269999861717224},{"id":"https://openalex.org/keywords/second-hyperpolarizability","display_name":"second hyperpolarizability","score":0.9900000095367432},{"id":"https://openalex.org/keywords/two-photon-absorption","display_name":"two-photon absorption","score":0.8259999752044678},{"id":"https://openalex.org/keywords/polarizability","display_name":"polarizability","score":0.8600000143051147},{"id":"https://openalex.org/keywords/dipole-moment","display_name":"dipole moment","score":0.6639999747276306},{"id":"https://openalex.org/keywords/nitrophenyl-substituent","display_name":"nitrophenyl substituent","score":0.7509999871253967},{"id":"https://openalex.org/keywords/dimethylamino-substituent","display_name":"dimethylamino substituent","score":0.777999997138977},{"id":"https://openalex.org/keywords/structure-property-relationships","display_name":"structure-property relationships","score":0.7710000276565552},{"id":"https://openalex.org/keywords/frontier-molecular-orbitals","display_name":"frontier molecular orbitals","score":0.8159999847412109},{"id":"https://openalex.org/keywords/molecular-electrostatic-potential","display_name":"molecular electrostatic potential","score":0.925000011920929},{"id":"https://openalex.org/keywords/third-order-nonlinear-optical-materials","display_name":"third-order nonlinear optical materials","score":0.5249999761581421}],"concepts":[{"id":"https://openalex.org/C2780694488","wikidata":"https://www.wikidata.org/wiki/Q2477036","display_name":"Hyperpolarizability","level":4,"score":0.9619176387786865},{"id":"https://openalex.org/C139287275","wikidata":"https://www.wikidata.org/wiki/Q869891","display_name":"Polarizability","level":3,"score":0.955005943775177},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.632258415222168},{"id":"https://openalex.org/C2991936344","wikidata":"https://www.wikidata.org/wiki/Q756033","display_name":"Nonlinear optical","level":3,"score":0.5772472620010376},{"id":"https://openalex.org/C173523689","wikidata":"https://www.wikidata.org/wiki/Q215589","display_name":"Dipole","level":2,"score":0.5688312649726868},{"id":"https://openalex.org/C192468462","wikidata":"https://www.wikidata.org/wiki/Q533543","display_name":"Chromophore","level":2,"score":0.4991776943206787},{"id":"https://openalex.org/C2779892579","wikidata":"https://www.wikidata.org/wiki/Q912138","display_name":"Acceptor","level":2,"score":0.47024884819984436},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.46310561895370483},{"id":"https://openalex.org/C180205008","wikidata":"https://www.wikidata.org/wiki/Q159190","display_name":"Amplitude","level":2,"score":0.44420239329338074},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.41485878825187683},{"id":"https://openalex.org/C78854221","wikidata":"https://www.wikidata.org/wiki/Q756033","display_name":"Nonlinear optics","level":3,"score":0.410856693983078},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.3440712094306946},{"id":"https://openalex.org/C158622935","wikidata":"https://www.wikidata.org/wiki/Q660848","display_name":"Nonlinear system","level":2,"score":0.2565237879753113},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.2451533079147339},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.21570518612861633},{"id":"https://openalex.org/C75473681","wikidata":"https://www.wikidata.org/wiki/Q188651","display_name":"Photochemistry","level":1,"score":0.18890821933746338},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.163455069065094},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.11552873253822327}],"mesh":[{"descriptor_ui":"D004583","descriptor_name":"Electrons","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004583","descriptor_name":"Electrons","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004583","descriptor_name":"Electrons","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"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":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013055","descriptor_name":"Spectrophotometry, Infrared","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013055","descriptor_name":"Spectrophotometry, Infrared","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013055","descriptor_name":"Spectrophotometry, Infrared","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016880","descriptor_name":"Anisotropy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016880","descriptor_name":"Anisotropy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016880","descriptor_name":"Anisotropy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017711","descriptor_name":"Nonlinear Dynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D017711","descriptor_name":"Nonlinear Dynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D017711","descriptor_name":"Nonlinear Dynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D047188","descriptor_name":"Chalcones","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D047188","descriptor_name":"Chalcones","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D047188","descriptor_name":"Chalcones","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D055620","descriptor_name":"Optical Phenomena","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055620","descriptor_name":"Optical Phenomena","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055620","descriptor_name":"Optical Phenomena","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1016/j.jmgm.2016.12.009","doi":"https://doi.org/10.1016/j.jmgm.2016.12.009","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.jmgm.2016.12.009","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:28064080","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/28064080","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"}],"best_oa_location":null,"sustainable_development_goals":[],"sustainable_development_goals_aurora":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320324433","display_name":"King Khalid University","ror":"https://ror.org/052kwzs30"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":40,"referenced_works":["https://openalex.org/W593677235","https://openalex.org/W867659706","https://openalex.org/W1258857689","https://openalex.org/W1549783302","https://openalex.org/W1968730224","https://openalex.org/W1970326168","https://openalex.org/W1979253783","https://openalex.org/W1984483655","https://openalex.org/W1986679024","https://openalex.org/W1986936433","https://openalex.org/W1986972693","https://openalex.org/W1988391434","https://openalex.org/W1988715706","https://openalex.org/W1994616833","https://openalex.org/W1995272177","https://openalex.org/W2012223359","https://openalex.org/W2026233982","https://openalex.org/W2026890125","https://openalex.org/W2039900342","https://openalex.org/W2044654330","https://openalex.org/W2048058075","https://openalex.org/W2050676282","https://openalex.org/W2058167549","https://openalex.org/W2059429196","https://openalex.org/W2059988909","https://openalex.org/W2060608642","https://openalex.org/W2065951117","https://openalex.org/W2084480747","https://openalex.org/W2113419764","https://openalex.org/W2137480479","https://openalex.org/W2162583950","https://openalex.org/W2294951076","https://openalex.org/W2295036556","https://openalex.org/W2301773610","https://openalex.org/W2332820440","https://openalex.org/W2338161527","https://openalex.org/W2470623809","https://openalex.org/W2499753008","https://openalex.org/W2951611320","https://openalex.org/W4249462765"],"related_works":["https://openalex.org/W1997263767","https://openalex.org/W2040283723","https://openalex.org/W2004501070","https://openalex.org/W1974316225","https://openalex.org/W2034006637","https://openalex.org/W2030784237","https://openalex.org/W2080078245","https://openalex.org/W2172069867","https://openalex.org/W1994531596","https://openalex.org/W1638955569"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":11},{"year":2025,"cited_by_count":17},{"year":2024,"cited_by_count":19},{"year":2023,"cited_by_count":19},{"year":2022,"cited_by_count":21},{"year":2021,"cited_by_count":15},{"year":2020,"cited_by_count":14},{"year":2019,"cited_by_count":9},{"year":2018,"cited_by_count":9},{"year":2017,"cited_by_count":4}],"updated_date":"2026-10-16T09:59:22.235173","created_date":"2025-10-10T00:00:00"}
