{"id":"https://openalex.org/W2045849646","doi":"https://doi.org/10.1016/s0166-1280(96)04660-x","title":"Reconsidering the conformational flexibility of \u03b2-cyclodextrin","display_name":"Reconsidering the conformational flexibility of \u03b2-cyclodextrin","publication_year":1997,"publication_date":"1997-05-01","ids":{"openalex":"https://openalex.org/W2045849646","doi":"https://doi.org/10.1016/s0166-1280(96)04660-x","mag":"2045849646"},"language":"en","primary_location":{"id":"doi:10.1016/s0166-1280(96)04660-x","doi":"https://doi.org/10.1016/s0166-1280(96)04660-x","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0166-1280(96)04660-x","pdf_url":null,"source":{"id":"https://openalex.org/S207713678","display_name":"Journal of Molecular Structure THEOCHEM","issn_l":"0166-1280","issn":["0166-1280","1872-7999"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","poland-40"],"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 Structure: THEOCHEM","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref"],"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/A5041840931","display_name":"Tibor Ko\u017e\u00e1r","orcid":"https://orcid.org/0000-0002-8167-1791","observed_orcids":["https://orcid.org/0000-0002-8167-1791"]},"institutions":[{"id":"https://openalex.org/I118118575","display_name":"New Jersey Institute of Technology","ror":"https://ror.org/05e74xb87","country_code":"US","type":"education","lineage":["https://openalex.org/I118118575"]},{"id":"https://openalex.org/I4210087042","display_name":"Max Planck Institute for Medical Research","ror":"https://ror.org/000bxzc63","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210087042"]},{"id":"https://openalex.org/I4210091658","display_name":"Institute of Experimental Physics of the Slovak Academy of Sciences","ror":"https://ror.org/0046rz373","country_code":"SK","type":"facility","lineage":["https://openalex.org/I207624831","https://openalex.org/I4210091658"]}],"countries":["DE","SK","US"],"is_corresponding":false,"raw_author_name":"Tibor Koz\u00e1r","raw_affiliation_strings":["Department of Chemical Engineering, Chemistry, and Environmental Science, New Jersey Institute of Technology, Newark, NJ 07102, USA","Institute of Experimental Physics of the Slovak Academy of Sciences, Watsonova 46, 04353 Kosi\u010de, Slovak Republic","Department of Organic Chemistry, Max Planck Institute for Medical Research, Jahnstrasse 29, D-6900 Heidelberg, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, Chemistry, and Environmental Science, New Jersey Institute of Technology, Newark, NJ 07102, USA","institution_ids":["https://openalex.org/I118118575"]},{"raw_affiliation_string":"Institute of Experimental Physics of the Slovak Academy of Sciences, Watsonova 46, 04353 Kosi\u010de, Slovak Republic","institution_ids":["https://openalex.org/I4210091658"]},{"raw_affiliation_string":"Department of Organic Chemistry, Max Planck Institute for Medical Research, Jahnstrasse 29, D-6900 Heidelberg, Germany","institution_ids":["https://openalex.org/I4210087042"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5084617938","display_name":"Carol A. Venanzi","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I118118575","display_name":"New Jersey Institute of Technology","ror":"https://ror.org/05e74xb87","country_code":"US","type":"education","lineage":["https://openalex.org/I118118575"]},{"id":"https://openalex.org/I4210087042","display_name":"Max Planck Institute for Medical Research","ror":"https://ror.org/000bxzc63","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210087042"]}],"countries":["DE","US"],"is_corresponding":true,"raw_author_name":"Carol A. Venanzi","raw_affiliation_strings":["Department of Chemical Engineering, Chemistry, and Environmental Science, New Jersey Institute of Technology, Newark, NJ 07102, USA","Department of Organic Chemistry, Max Planck Institute for Medical Research, Jahnstrasse 29, D-6900 Heidelberg, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, Chemistry, and Environmental Science, New Jersey Institute of Technology, Newark, NJ 07102, USA","institution_ids":["https://openalex.org/I118118575"]},{"raw_affiliation_string":"Department of Organic Chemistry, Max Planck Institute for Medical Research, Jahnstrasse 29, D-6900 Heidelberg, Germany","institution_ids":["https://openalex.org/I4210087042"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5084617938"],"corresponding_institution_ids":["https://openalex.org/I118118575","https://openalex.org/I4210087042"],"apc_list":null,"apc_paid":null,"fwci":1.2359,"has_fulltext":false,"cited_by_count":19,"citation_normalized_percentile":{"value":0.74364046,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"395-396","issue":null,"first_page":"451","last_page":"468"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10578","display_name":"Supramolecular Chemistry and Complexes","score":0.5493000149726868,"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"}},"topics":[{"id":"https://openalex.org/T10578","display_name":"Supramolecular Chemistry and Complexes","score":0.5493000149726868,"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/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.17520000040531158,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical 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/T10044","display_name":"Protein Structure and Dynamics","score":0.09830000251531601,"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/beta-cyclodextrin","display_name":"\u03b2-cyclodextrin","score":0.9990000128746033},{"id":"https://openalex.org/keywords/conformational-flexibility","display_name":"conformational flexibility","score":0.9649999737739563},{"id":"https://openalex.org/keywords/dihedral-angle","display_name":"dihedral angle","score":0.6669999957084656},{"id":"https://openalex.org/keywords/hydroxymethyl-group","display_name":"hydroxymethyl group","score":0.6930000185966492},{"id":"https://openalex.org/keywords/potential-energy-surface","display_name":"potential energy surface","score":0.7720000147819519},{"id":"https://openalex.org/keywords/hydrogen-bond-network","display_name":"hydrogen bond network","score":0.7639999985694885},{"id":"https://openalex.org/keywords/conformational-ensembles","display_name":"conformational ensembles","score":0.6759999990463257},{"id":"https://openalex.org/keywords/conformational-sampling","display_name":"conformational sampling","score":0.6389999985694885},{"id":"https://openalex.org/keywords/molecular-dynamics-simulation","display_name":"molecular dynamics simulation","score":0.621999979019165},{"id":"https://openalex.org/keywords/temperature-dependence","display_name":"temperature dependence","score":0.4050000011920929},{"id":"https://openalex.org/keywords/conformational-change","display_name":"conformational change","score":0.5009999871253967},{"id":"https://openalex.org/keywords/conformers","display_name":"conformational isomers","score":0.46700000762939453}],"concepts":[{"id":"https://openalex.org/C18705241","wikidata":"https://www.wikidata.org/wiki/Q1128023","display_name":"Conformational isomerism","level":3,"score":0.7510079145431519},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.6820540428161621},{"id":"https://openalex.org/C14961307","wikidata":"https://www.wikidata.org/wiki/Q5377176","display_name":"Energy minimization","level":2,"score":0.5683907866477966},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5606517791748047},{"id":"https://openalex.org/C125277925","wikidata":"https://www.wikidata.org/wiki/Q2572687","display_name":"Potential energy surface","level":3,"score":0.5550713539123535},{"id":"https://openalex.org/C89025888","wikidata":"https://www.wikidata.org/wiki/Q911907","display_name":"Dihedral angle","level":4,"score":0.4566246271133423},{"id":"https://openalex.org/C150487720","wikidata":"https://www.wikidata.org/wiki/Q422553","display_name":"Glycosidic bond","level":3,"score":0.449375182390213},{"id":"https://openalex.org/C193547582","wikidata":"https://www.wikidata.org/wiki/Q911331","display_name":"Molecular geometry","level":3,"score":0.426118940114975},{"id":"https://openalex.org/C186633575","wikidata":"https://www.wikidata.org/wiki/Q845060","display_name":"Maxima and minima","level":2,"score":0.42357492446899414},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.42220938205718994},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.417108952999115},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.3845701515674591},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.37843018770217896},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.1999206840991974},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/s0166-1280(96)04660-x","doi":"https://doi.org/10.1016/s0166-1280(96)04660-x","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0166-1280(96)04660-x","pdf_url":null,"source":{"id":"https://openalex.org/S207713678","display_name":"Journal of Molecular Structure THEOCHEM","issn_l":"0166-1280","issn":["0166-1280","1872-7999"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","poland-40"],"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 Structure: THEOCHEM","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":68,"referenced_works":["https://openalex.org/W1503211971","https://openalex.org/W1533504098","https://openalex.org/W1598636894","https://openalex.org/W1964536616","https://openalex.org/W1967691850","https://openalex.org/W1969956520","https://openalex.org/W1976094278","https://openalex.org/W1982414593","https://openalex.org/W1985541393","https://openalex.org/W1986939669","https://openalex.org/W1999251726","https://openalex.org/W2003093563","https://openalex.org/W2005083218","https://openalex.org/W2007821440","https://openalex.org/W2008862606","https://openalex.org/W2012594072","https://openalex.org/W2013862710","https://openalex.org/W2014460427","https://openalex.org/W2016628249","https://openalex.org/W2018311432","https://openalex.org/W2019520721","https://openalex.org/W2020943012","https://openalex.org/W2029073835","https://openalex.org/W2032066649","https://openalex.org/W2033088991","https://openalex.org/W2034012751","https://openalex.org/W2034570215","https://openalex.org/W2034748814","https://openalex.org/W2035917258","https://openalex.org/W2036913686","https://openalex.org/W2036926176","https://openalex.org/W2039337052","https://openalex.org/W2040039479","https://openalex.org/W2043925984","https://openalex.org/W2046076569","https://openalex.org/W2047961504","https://openalex.org/W2048125069","https://openalex.org/W2051438056","https://openalex.org/W2060484548","https://openalex.org/W2064044899","https://openalex.org/W2065633781","https://openalex.org/W2070943230","https://openalex.org/W2072964853","https://openalex.org/W2081484463","https://openalex.org/W2082271129","https://openalex.org/W2082637836","https://openalex.org/W2082951078","https://openalex.org/W2087201106","https://openalex.org/W2089918258","https://openalex.org/W2098995290","https://openalex.org/W2100694511","https://openalex.org/W2114013702","https://openalex.org/W2124459711","https://openalex.org/W2148609440","https://openalex.org/W2155430111","https://openalex.org/W2155524113","https://openalex.org/W2319701993","https://openalex.org/W2323886924","https://openalex.org/W2418138498","https://openalex.org/W2886176329","https://openalex.org/W2911645444","https://openalex.org/W2951309034","https://openalex.org/W2952616000","https://openalex.org/W3004982183","https://openalex.org/W3018176061","https://openalex.org/W4233183674","https://openalex.org/W4234530091","https://openalex.org/W4255197733"],"related_works":["https://openalex.org/W2034570215","https://openalex.org/W2051438056","https://openalex.org/W2082219929","https://openalex.org/W2036926176","https://openalex.org/W1976740077","https://openalex.org/W2150147881","https://openalex.org/W2080556197","https://openalex.org/W2088037289","https://openalex.org/W331776414","https://openalex.org/W2008728515"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2013,"cited_by_count":1}],"updated_date":"2026-07-29T09:40:50.615796","created_date":"2016-06-24T00:00:00"}