{"id":"https://openalex.org/W1744233075","doi":"https://doi.org/10.17169/refubium-6001","title":"Integration of ligand characteristics for the simulation of cellular reactions","display_name":"Integration of ligand characteristics for the simulation of cellular reactions","publication_year":2009,"publication_date":"2009-01-01","ids":{"openalex":"https://openalex.org/W1744233075","doi":"https://doi.org/10.17169/refubium-6001","mag":"1744233075"},"language":"en","primary_location":{"id":"pmh:oai:diss.fu-berlin.de:FUDISS_thesis_000000014787","is_oa":false,"landing_page_url":"http://edocs.fu-berlin.de/diss/receive/FUDISS_thesis_000000014787","pdf_url":null,"source":{"id":"https://openalex.org/S7407052913","display_name":"Universit\u00e4tsbibliothek der FU Berlin Hochschulschriftenstelle u. Dokumentenserver","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":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"","raw_type":"doc-type:doctoralThesis"},"type":"dissertation","indexed_in":["datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://refubium.fu-berlin.de/handle/fub188/1799","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5064497339","display_name":"Raphael Andr\u00e9 Bauer","orcid":null},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Bauer, Raphael Andr\u00e9","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":["https://openalex.org/A5064497339"],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10621","display_name":"Gene Regulatory Network Analysis","score":0.9182999730110168,"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"}},"topics":[{"id":"https://openalex.org/T10621","display_name":"Gene Regulatory Network Analysis","score":0.9182999730110168,"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/computer-science","display_name":"Computer science","score":0.47878965735435486}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.47878965735435486}],"mesh":[],"locations_count":6,"locations":[{"id":"pmh:oai:diss.fu-berlin.de:FUDISS_thesis_000000014787","is_oa":false,"landing_page_url":"http://edocs.fu-berlin.de/diss/receive/FUDISS_thesis_000000014787","pdf_url":null,"source":{"id":"https://openalex.org/S7407052913","display_name":"Universit\u00e4tsbibliothek der FU Berlin Hochschulschriftenstelle u. Dokumentenserver","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":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"","raw_type":"doc-type:doctoralThesis"},{"id":"pmh:oai:refubium.fu-berlin.de:fub188/1799","is_oa":true,"landing_page_url":"https://refubium.fu-berlin.de/handle/fub188/1799","pdf_url":"https://refubium.fu-berlin.de/handle/fub188/1799","source":{"id":"https://openalex.org/S4306402444","display_name":"Refubium (Universit\u00e4tsbibliothek der Freien Universit\u00e4t Berlin)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I75951250","host_organization_name":"Freie Universit\u00e4t Berlin","host_organization_lineage":["https://openalex.org/I75951250"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Dissertation"},{"id":"pmh:oai:aleph.bib-bvb.de:BVB01-022284074","is_oa":false,"landing_page_url":"http://www.diss.fu-berlin.de/diss/receive/FUDISS_thesis_000000014787","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Hochschulschrift"},{"id":"pmh:oai:edoc.mpg.de:446314","is_oa":false,"landing_page_url":"http://edoc.mpg.de/446314","pdf_url":null,"source":{"id":"https://openalex.org/S4406922265","display_name":"Max Planck Institute for Plasma Physics","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":"","raw_type":"PhD-Thesis"},{"id":"pmh:oai:pure.mpg.de:item_1584020","is_oa":true,"landing_page_url":"https://hdl.handle.net/11858/00-001M-0000-0010-7CA5-B","pdf_url":null,"source":{"id":"https://openalex.org/S4306400654","display_name":"MPG.PuRe (Max Planck Society)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I149899117","host_organization_name":"Max Planck Society","host_organization_lineage":["https://openalex.org/I149899117"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/doctoralThesis"},{"id":"doi:10.17169/refubium-6001","is_oa":true,"landing_page_url":"https://doi.org/10.17169/refubium-6001","pdf_url":null,"source":{"id":"https://openalex.org/S7407052913","display_name":"Universit\u00e4tsbibliothek der FU Berlin Hochschulschriftenstelle u. Dokumentenserver","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":null,"is_accepted":false,"is_published":null,"raw_source_name":null,"raw_type":null}],"best_oa_location":{"id":"pmh:oai:refubium.fu-berlin.de:fub188/1799","is_oa":true,"landing_page_url":"https://refubium.fu-berlin.de/handle/fub188/1799","pdf_url":"https://refubium.fu-berlin.de/handle/fub188/1799","source":{"id":"https://openalex.org/S4306402444","display_name":"Refubium (Universit\u00e4tsbibliothek der Freien Universit\u00e4t Berlin)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I75951250","host_organization_name":"Freie Universit\u00e4t Berlin","host_organization_lineage":["https://openalex.org/I75951250"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Dissertation"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W1744233075.pdf","grobid_xml":"https://content.openalex.org/works/W1744233075.grobid-xml"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2150173758","https://openalex.org/W1567117750","https://openalex.org/W2041046716","https://openalex.org/W2055302954","https://openalex.org/W3040969795","https://openalex.org/W2003455193","https://openalex.org/W138029338","https://openalex.org/W2161644127","https://openalex.org/W3013529667","https://openalex.org/W2125481770","https://openalex.org/W2001635101","https://openalex.org/W1963538288"],"abstract_inverted_index":{"A":[0,102,151,217],"major":[1],"characteristic":[2],"of":[3,9,12,51,55,62,68,81,99,131,148,159,174,200,202,208,260,275,284,299,316,351],"life":[4],"sciences":[5],"is":[6,72,85,93,104,153,183,220,331,334],"the":[7,49,52,59,82,96,100,157,245,258,285,297,319,342,349,352,362],"generation":[8],"vast":[10],"amounts":[11],"raw":[13,70],"data":[14,22,71,84,90,149,160],"produced":[15],"by":[16],"modern":[17],"wet":[18],"lab":[19],"technologies.":[20],"The":[21,89,172,265,281,345],"may":[23],"come":[24],"from":[25,58],"large-scale":[26],"experiments":[27,273],"where":[28],"chemical":[29],"compounds":[30],"are":[31,188,302,310],"tested":[32],"on":[33,110,144,167,318,341],"their":[34],"ability":[35],"to":[36,237,254,296,336,360],"act":[37],"as":[38,128,179],"possible":[39],"agents":[40],"against":[41],"certain":[42],"diseases.":[43],"It":[44,240],"can":[45,135,210,241,267,347],"also":[46],"originate":[47],"in":[48,95,228,252,257,270,304],"determination":[50],"3D":[53,108,122,169,198],"structure":[54],"macromolecules,":[56],"or":[57,249],"genetic":[60],"code":[61],"a":[63,79,145,190,196,206,231,235,238,305,328],"species.":[64],"Evaluation":[65],"and":[66,87,120,133,162,181,204,225,262,278,290],"integration":[67,91,158],"that":[69,106,155,222,233,244,301,312,333],"becoming":[73],"increasingly":[74],"important.":[75],"Currently,":[76],"often":[77,136],"only":[78,137,189,205],"fraction":[80],"generated":[83],"integrated":[86],"evaluated.":[88],"problem":[92],"addressed":[94],"\ufb01rst":[97],"part":[98,283],"work.":[101],"data-warehouse":[103],"developed":[105,343],"integrates":[107],"information":[109,113],"proteins":[111,134,180],"with":[112,141,164,230,288],"about":[114],"potential":[115,117],"drugs,":[116],"binding":[118,123],"sites":[119],"advanced":[121],"site":[124],"screening":[125,130,170,199],"techniques.":[126,171],"Furthermore,":[127],"similarity":[129],"molecules":[132],"be":[138,211,242,268],"carried":[139],"out":[140],"limited":[142,146],"accuracy":[143],"amount":[147,173,298],"sets.":[150],"framework":[152],"presented":[154,221,332],"facilitates":[156],"sources":[161],"methods":[163,192,209,256],"an":[165],"emphasis":[166],"exact":[168],"searchable":[175],"macromolecular":[176],"structures,":[177],"such":[178],"RNAs":[182],"growing":[184],"rapidly.":[185],"However,":[186],"there":[187],"few":[191],"available":[193],"allowing":[194],"for":[195,213],"rapid":[197],"thousands":[201],"proteins,":[203],"handful":[207],"used":[212,269],"aligning":[214],"RNA":[215,263],"structures.":[216],"novel":[218],"method":[219,246,266],"uses":[223],"n-grams":[224],"index":[226],"structures":[227],"concert":[229],"nomenclature":[232],"reduces":[234],"biomolecule":[236],"string.":[239],"shown":[243],"delivers":[247],"comparable":[248],"better":[250],"results":[251],"comparison":[253],"leading":[255],"\ufb01eld":[259],"protein":[261],"alignment.":[264],"high":[271],"throughput":[272],"because":[274],"its":[276],"precision":[277],"adjustable":[279],"speed.":[280],"last":[282],"work":[286],"deals":[287],"interaction":[289],"signal":[291,321],"transduction.":[292],"Expression":[293],"levels":[294,315],"correlate":[295],"signals":[300],"transduced":[303],"biological":[306],"network.":[307],"Various":[308],"concepts":[309],"evaluated":[311],"map":[313],"expression":[314],"genes":[317],"apoptosis":[320],"transduction":[322],"network":[323],"using":[324],"Petri":[325,338,353],"nets.":[326],"Finally,":[327],"software":[329,346,363],"package":[330],"able":[335],"simulate":[337],"nets":[339],"based":[340],"paradigm.":[344],"hide":[348],"complexity":[350],"net,":[354],"which":[355],"allows":[356],"non-":[357],"computer":[358],"experts":[359],"use":[361],"e\ufb03ciently.":[364]},"counts_by_year":[],"updated_date":"2026-08-04T08:18:43.703281","created_date":"2025-10-10T00:00:00"}
