{"id":"https://openalex.org/W2022116926","doi":"https://doi.org/10.1021/ci010242y","title":"A Cellular Automata Model of Water Structuring by a Chiral Solute","display_name":"A Cellular Automata Model of Water Structuring by a Chiral Solute","publication_year":2002,"publication_date":"2002-04-04","ids":{"openalex":"https://openalex.org/W2022116926","doi":"https://doi.org/10.1021/ci010242y","mag":"2022116926","pmid":"https://pubmed.ncbi.nlm.nih.gov/12086533"},"language":"en","primary_location":{"id":"doi:10.1021/ci010242y","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci010242y","pdf_url":null,"source":{"id":"https://openalex.org/S171559003","display_name":"Journal of Chemical Information and Computer Sciences","issn_l":"0095-2338","issn":["0095-2338","1520-5142"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Computer Sciences","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/A5080796605","display_name":"Bernard Testa","orcid":"https://orcid.org/0000-0002-3218-4612"},"institutions":[{"id":"https://openalex.org/I184840846","display_name":"Virginia Commonwealth University","ror":"https://ror.org/02nkdxk79","country_code":"US","type":"education","lineage":["https://openalex.org/I184840846"]},{"id":"https://openalex.org/I97565354","display_name":"University of Lausanne","ror":"https://ror.org/019whta54","country_code":"CH","type":"education","lineage":["https://openalex.org/I97565354"]}],"countries":["CH","US"],"is_corresponding":false,"raw_author_name":"Bernard Testa","raw_affiliation_strings":["Institute of Medicinal Chemistry, University of Lausanne, CH-1015 Lausanne, Switzerland, and Center for the Study of Biological Complexity and Department of Computer Sciences, Virginia Commonwealth University, Richmond, Virginia 23298"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Medicinal Chemistry, University of Lausanne, CH-1015 Lausanne, Switzerland, and Center for the Study of Biological Complexity and Department of Computer Sciences, Virginia Commonwealth University, Richmond, Virginia 23298","institution_ids":["https://openalex.org/I184840846","https://openalex.org/I97565354"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063432418","display_name":"Lemont B. Kier","orcid":"https://orcid.org/0000-0002-1363-1624"},"institutions":[{"id":"https://openalex.org/I184840846","display_name":"Virginia Commonwealth University","ror":"https://ror.org/02nkdxk79","country_code":"US","type":"education","lineage":["https://openalex.org/I184840846"]},{"id":"https://openalex.org/I97565354","display_name":"University of Lausanne","ror":"https://ror.org/019whta54","country_code":"CH","type":"education","lineage":["https://openalex.org/I97565354"]}],"countries":["CH","US"],"is_corresponding":false,"raw_author_name":"Lemont B. Kier","raw_affiliation_strings":["Institute of Medicinal Chemistry, University of Lausanne, CH-1015 Lausanne, Switzerland, and Center for the Study of Biological Complexity and Department of Computer Sciences, Virginia Commonwealth University, Richmond, Virginia 23298"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Medicinal Chemistry, University of Lausanne, CH-1015 Lausanne, Switzerland, and Center for the Study of Biological Complexity and Department of Computer Sciences, Virginia Commonwealth University, Richmond, Virginia 23298","institution_ids":["https://openalex.org/I184840846","https://openalex.org/I97565354"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5113561410","display_name":"Chao\u2010Kun Cheng","orcid":null},"institutions":[{"id":"https://openalex.org/I184840846","display_name":"Virginia Commonwealth University","ror":"https://ror.org/02nkdxk79","country_code":"US","type":"education","lineage":["https://openalex.org/I184840846"]},{"id":"https://openalex.org/I97565354","display_name":"University of Lausanne","ror":"https://ror.org/019whta54","country_code":"CH","type":"education","lineage":["https://openalex.org/I97565354"]}],"countries":["CH","US"],"is_corresponding":false,"raw_author_name":"Chao-Kun Cheng","raw_affiliation_strings":["Institute of Medicinal Chemistry, University of Lausanne, CH-1015 Lausanne, Switzerland, and Center for the Study of Biological Complexity and Department of Computer Sciences, Virginia Commonwealth University, Richmond, Virginia 23298"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Medicinal Chemistry, University of Lausanne, CH-1015 Lausanne, Switzerland, and Center for the Study of Biological Complexity and Department of Computer Sciences, Virginia Commonwealth University, Richmond, Virginia 23298","institution_ids":["https://openalex.org/I184840846","https://openalex.org/I97565354"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.6921,"has_fulltext":false,"cited_by_count":4,"citation_normalized_percentile":{"value":0.67879943,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"42","issue":"3","first_page":"712","last_page":"716"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12162","display_name":"Cellular Automata and Applications","score":0.9955000281333923,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T12162","display_name":"Cellular Automata and Applications","score":0.9955000281333923,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/structuring","display_name":"Structuring","score":0.9336495399475098},{"id":"https://openalex.org/keywords/cellular-automaton","display_name":"Cellular automaton","score":0.7815192341804504},{"id":"https://openalex.org/keywords/automaton","display_name":"Automaton","score":0.512516975402832},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.47979241609573364},{"id":"https://openalex.org/keywords/theoretical-computer-science","display_name":"Theoretical computer science","score":0.425744891166687},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.23729777336120605},{"id":"https://openalex.org/keywords/business","display_name":"Business","score":0.06243661046028137}],"concepts":[{"id":"https://openalex.org/C2775945657","wikidata":"https://www.wikidata.org/wiki/Q381442","display_name":"Structuring","level":2,"score":0.9336495399475098},{"id":"https://openalex.org/C35527583","wikidata":"https://www.wikidata.org/wiki/Q189156","display_name":"Cellular automaton","level":2,"score":0.7815192341804504},{"id":"https://openalex.org/C112505250","wikidata":"https://www.wikidata.org/wiki/Q787116","display_name":"Automaton","level":2,"score":0.512516975402832},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.47979241609573364},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.425744891166687},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.23729777336120605},{"id":"https://openalex.org/C144133560","wikidata":"https://www.wikidata.org/wiki/Q4830453","display_name":"Business","level":0,"score":0.06243661046028137},{"id":"https://openalex.org/C10138342","wikidata":"https://www.wikidata.org/wiki/Q43015","display_name":"Finance","level":1,"score":0.0}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.1021/ci010242y","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci010242y","pdf_url":null,"source":{"id":"https://openalex.org/S171559003","display_name":"Journal of Chemical Information and Computer Sciences","issn_l":"0095-2338","issn":["0095-2338","1520-5142"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Computer Sciences","raw_type":"journal-article"},{"id":"pmid:12086533","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/12086533","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 chemical information and computer sciences","raw_type":null},{"id":"pmh:oai:iris.unil.ch:iris/115304","is_oa":false,"landing_page_url":"https://iris.unil.ch/handle/iris/115304","pdf_url":null,"source":{"id":"https://openalex.org/S7407055444","display_name":"IRIS","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"journal article"},{"id":"pmh:oai:serval.unil.ch:BIB_22825","is_oa":false,"landing_page_url":"https://serval.unil.ch/notice/serval:BIB_22825","pdf_url":null,"source":{"id":"https://openalex.org/S4306401797","display_name":"SERVAL (Universit\u00e9 de Lausanne)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210093590","host_organization_name":"Swiss School of Archaeology in Greece","host_organization_lineage":["https://openalex.org/I4210093590"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J. Chem. Inform. Comput. Sci., vol. 42, pp. 712-716","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/6","display_name":"Clean water and sanitation","score":0.8399999737739563}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":2,"referenced_works":["https://openalex.org/W2108704847","https://openalex.org/W4301321901"],"related_works":["https://openalex.org/W2748952813","https://openalex.org/W4251394462","https://openalex.org/W1580673008","https://openalex.org/W1510936208","https://openalex.org/W2486167009","https://openalex.org/W1595575899","https://openalex.org/W756498608","https://openalex.org/W2135201366","https://openalex.org/W2141069492","https://openalex.org/W1986870597"],"abstract_inverted_index":{"The":[0],"organization":[1],"of":[2,11,39,48,56,64,88,96,103],"water":[3,23,49,66,89],"around":[4],"a":[5,57,61],"solute":[6,19,40,98],"molecule":[7,20,41],"with":[8,79],"surface":[9,42,71,95],"features":[10,43],"varying":[12,36],"hydropathic":[13,37],"states":[14,38],"is":[15,33,72,76,100],"studied.":[16],"A":[17,86],"stationary":[18],"and":[21,82],"mobile":[22],"solvent":[24],"molecules":[25,67,90,99],"are":[26],"modeled":[27],"using":[28],"cellular":[29],"automata":[30],"dynamics.":[31],"It":[32],"shown":[34],"that":[35],"influence":[44],"the":[45,54,70,94,97],"relative":[46],"affinities":[47],"for":[50],"these":[51],"features.":[52],"In":[53],"case":[55],"simulated":[58],"chiral":[59,62],"solute,":[60],"pattern":[63,87],"associated":[65],"binding":[68],"to":[69],"produced.":[73],"This":[74],"finding":[75],"in":[77,107],"agreement":[78],"published":[80],"simulations":[81],"circular":[83],"dichroism":[84],"measurements.":[85],"at":[91],"locations":[92],"beyond":[93],"detected,":[101],"evidence":[102],"an":[104],"emergent":[105],"property":[106],"this":[108],"solvent-solute":[109],"system.":[110]},"counts_by_year":[{"year":2013,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
