{"id":"https://openalex.org/W4242218538","doi":"https://doi.org/10.1007/bf01531996","title":"Crystallographic modelling","display_name":"Crystallographic modelling","publication_year":1988,"publication_date":"1988-10-01","ids":{"openalex":"https://openalex.org/W4242218538","doi":"https://doi.org/10.1007/bf01531996","pmid":"https://pubmed.ncbi.nlm.nih.gov/3236050"},"language":"en","primary_location":{"id":"doi:10.1007/bf01531996","is_oa":false,"landing_page_url":"https://doi.org/10.1007/bf01531996","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/A5109295714","display_name":"R.A.J. Driessen","orcid":null},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"R. A. J. Driessen","raw_affiliation_strings":["Laboratorium voor Kristallografie, Universiteit van Amsterdam, The Netherlands","Laboratorium voor Kristallografie, Universiteil van Amsterdam, WV Amsterdam, The Netherlands"],"affiliations":[{"raw_affiliation_string":"Laboratorium voor Kristallografie, Universiteit van Amsterdam, The Netherlands","institution_ids":[]},{"raw_affiliation_string":"Laboratorium voor Kristallografie, Universiteil van Amsterdam, WV Amsterdam, The Netherlands","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5091847183","display_name":"B.O. Loopstra","orcid":null},"institutions":[{"id":"https://openalex.org/I4210087268","display_name":"Gemeente Amsterdam","ror":"https://ror.org/003h0ev22","country_code":"NL","type":"government","lineage":["https://openalex.org/I4210087268"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"B. O. Loopstra","raw_affiliation_strings":["Laboratorium voor Kristallografie, Universiteil van Amsterdam, Nieuwe Achtergracht 166, 1018, WV Amsterdam, The Netherlands","Laboratorium voor Kristallografie, Universiteil van Amsterdam, WV Amsterdam, The Netherlands"],"affiliations":[{"raw_affiliation_string":"Laboratorium voor Kristallografie, Universiteil van Amsterdam, Nieuwe Achtergracht 166, 1018, WV Amsterdam, The Netherlands","institution_ids":["https://openalex.org/I4210087268"]},{"raw_affiliation_string":"Laboratorium voor Kristallografie, Universiteil van Amsterdam, WV Amsterdam, The Netherlands","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5058120311","display_name":"D. P. de Bruijn","orcid":null},"institutions":[{"id":"https://openalex.org/I7923278","display_name":"Shell (Netherlands)","ror":"https://ror.org/00b5m4j81","country_code":"NL","type":"company","lineage":["https://openalex.org/I7923278"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"D. P. de Bruijn","raw_affiliation_strings":["Koninklijke/Shell-Laboratorium, Amsterdam, (Shell Research B.V.), P.O. Box 3003, 1003, AA Amsterdam, The Netherlands","Koninklijke/Shell-Laboratorium, Amsterdam, (Shell Research B.V.), AA Amsterdam, The Netherlands"],"affiliations":[{"raw_affiliation_string":"Koninklijke/Shell-Laboratorium, Amsterdam, (Shell Research B.V.), P.O. Box 3003, 1003, AA Amsterdam, The Netherlands","institution_ids":["https://openalex.org/I7923278"]},{"raw_affiliation_string":"Koninklijke/Shell-Laboratorium, Amsterdam, (Shell Research B.V.), AA Amsterdam, The Netherlands","institution_ids":["https://openalex.org/I7923278"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5113748927","display_name":"H.P.C.E. Kuipers","orcid":null},"institutions":[{"id":"https://openalex.org/I7923278","display_name":"Shell (Netherlands)","ror":"https://ror.org/00b5m4j81","country_code":"NL","type":"company","lineage":["https://openalex.org/I7923278"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"H. P. C. E. Kuipers","raw_affiliation_strings":["Koninklijke/Shell-Laboratorium, Amsterdam, (Shell Research B.V.), P.O. Box 3003, 1003, AA Amsterdam, The Netherlands","Koninklijke/Shell-Laboratorium, Amsterdam, (Shell Research B.V.), AA Amsterdam, The Netherlands"],"affiliations":[{"raw_affiliation_string":"Koninklijke/Shell-Laboratorium, Amsterdam, (Shell Research B.V.), P.O. Box 3003, 1003, AA Amsterdam, The Netherlands","institution_ids":["https://openalex.org/I7923278"]},{"raw_affiliation_string":"Koninklijke/Shell-Laboratorium, Amsterdam, (Shell Research B.V.), AA Amsterdam, The Netherlands","institution_ids":["https://openalex.org/I7923278"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5086163046","display_name":"H. Schenk","orcid":null},"institutions":[{"id":"https://openalex.org/I4210087268","display_name":"Gemeente Amsterdam","ror":"https://ror.org/003h0ev22","country_code":"NL","type":"government","lineage":["https://openalex.org/I4210087268"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"H. Schenk","raw_affiliation_strings":["Laboratorium voor Kristallografie, Universiteil van Amsterdam, Nieuwe Achtergracht 166, 1018, WV Amsterdam, The Netherlands","Laboratorium voor Kristallografie, Universiteil van Amsterdam, WV Amsterdam, The Netherlands"],"affiliations":[{"raw_affiliation_string":"Laboratorium voor Kristallografie, Universiteil van Amsterdam, Nieuwe Achtergracht 166, 1018, WV Amsterdam, The Netherlands","institution_ids":["https://openalex.org/I4210087268"]},{"raw_affiliation_string":"Laboratorium voor Kristallografie, Universiteil van Amsterdam, WV Amsterdam, The Netherlands","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5109295714"],"corresponding_institution_ids":[],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":2.0568,"has_fulltext":false,"cited_by_count":17,"citation_normalized_percentile":{"value":0.87164107,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":94,"max":96},"biblio":{"volume":"2","issue":"3","first_page":"225","last_page":"233"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12613","display_name":"X-ray Diffraction in Crystallography","score":0.9943000078201294,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"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/T12613","display_name":"X-ray Diffraction in Crystallography","score":0.9943000078201294,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"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/T11881","display_name":"Crystallization and Solubility Studies","score":0.9305999875068665,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"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/realization","display_name":"Realization (probability)","score":0.6346603035926819},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6294870376586914},{"id":"https://openalex.org/keywords/atom","display_name":"Atom (system on chip)","score":0.5760263800621033},{"id":"https://openalex.org/keywords/crystal-structure","display_name":"Crystal structure","score":0.5746327638626099},{"id":"https://openalex.org/keywords/crystallography","display_name":"Crystallography","score":0.5561180114746094},{"id":"https://openalex.org/keywords/symmetry","display_name":"Symmetry (geometry)","score":0.5421278476715088},{"id":"https://openalex.org/keywords/graphics","display_name":"Graphics","score":0.45353245735168457},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.35027313232421875},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.2819530665874481},{"id":"https://openalex.org/keywords/computer-graphics","display_name":"Computer graphics (images)","score":0.26026660203933716},{"id":"https://openalex.org/keywords/geometry","display_name":"Geometry","score":0.15896859765052795},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.12070384621620178}],"concepts":[{"id":"https://openalex.org/C2781089630","wikidata":"https://www.wikidata.org/wiki/Q21856745","display_name":"Realization (probability)","level":2,"score":0.6346603035926819},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6294870376586914},{"id":"https://openalex.org/C58312451","wikidata":"https://www.wikidata.org/wiki/Q4817200","display_name":"Atom (system on chip)","level":2,"score":0.5760263800621033},{"id":"https://openalex.org/C115624301","wikidata":"https://www.wikidata.org/wiki/Q895901","display_name":"Crystal structure","level":2,"score":0.5746327638626099},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.5561180114746094},{"id":"https://openalex.org/C2779886137","wikidata":"https://www.wikidata.org/wiki/Q21030012","display_name":"Symmetry (geometry)","level":2,"score":0.5421278476715088},{"id":"https://openalex.org/C21442007","wikidata":"https://www.wikidata.org/wiki/Q1027879","display_name":"Graphics","level":2,"score":0.45353245735168457},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.35027313232421875},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2819530665874481},{"id":"https://openalex.org/C121684516","wikidata":"https://www.wikidata.org/wiki/Q7600677","display_name":"Computer graphics (images)","level":1,"score":0.26026660203933716},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.15896859765052795},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.12070384621620178},{"id":"https://openalex.org/C149635348","wikidata":"https://www.wikidata.org/wiki/Q193040","display_name":"Embedded system","level":1,"score":0.0},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D003196","descriptor_name":"Computer Graphics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003196","descriptor_name":"Computer Graphics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003196","descriptor_name":"Computer Graphics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003461","descriptor_name":"Crystallography","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003461","descriptor_name":"Crystallography","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003461","descriptor_name":"Crystallography","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":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","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":true},{"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}],"locations_count":2,"locations":[{"id":"doi:10.1007/bf01531996","is_oa":false,"landing_page_url":"https://doi.org/10.1007/bf01531996","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:3236050","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/3236050","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":[{"id":"https://openalex.org/F4320307816","display_name":"Shell","ror":"https://ror.org/00b5m4j81"},{"id":"https://openalex.org/F4320321008","display_name":"Universiteit van Amsterdam","ror":"https://ror.org/04dkp9463"},{"id":"https://openalex.org/F4320325594","display_name":"Kungl. Skogs- och Lantbruksakademien","ror":"https://ror.org/01qfer487"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":10,"referenced_works":["https://openalex.org/W1966041739","https://openalex.org/W1969222787","https://openalex.org/W2007618885","https://openalex.org/W2016260972","https://openalex.org/W2017242697","https://openalex.org/W2063831812","https://openalex.org/W2081124392","https://openalex.org/W2152152303","https://openalex.org/W3204229760","https://openalex.org/W4241746690"],"related_works":["https://openalex.org/W2022544890","https://openalex.org/W2394097730","https://openalex.org/W2769996735","https://openalex.org/W4312353617","https://openalex.org/W2113405914","https://openalex.org/W2260963831","https://openalex.org/W4235249401","https://openalex.org/W2331305369","https://openalex.org/W2043523297","https://openalex.org/W2015200445"],"abstract_inverted_index":null,"counts_by_year":[{"year":2024,"cited_by_count":2}],"updated_date":"2026-01-13T01:12:25.745995","created_date":"2025-10-10T00:00:00"}
