{"id":"https://openalex.org/W904105201","doi":null,"title":"The Advantages of Micro-Cal\u2122 Auto-iTC200 for Secondary Screening in a Fragment-based Drug Discovery Campaign","display_name":"The Advantages of Micro-Cal\u2122 Auto-iTC200 for Secondary Screening in a Fragment-based Drug Discovery Campaign","publication_year":2013,"publication_date":"2013-05-01","ids":{"openalex":"https://openalex.org/W904105201","mag":"904105201"},"language":"en","primary_location":{"id":"pmh:oai:europepmc.org:2641384","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3635267","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":null,"raw_type":"Text"},"volume":null,"type":"article","is_traditional":true,"indexed_in":[],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3635267","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5061933920","display_name":"Natalia Markova","orcid":"https://orcid.org/0000-0002-1367-9580","observed_orcids":["https://orcid.org/0000-0002-1367-9580"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Markova, Natalia","raw_affiliation_strings":["2 GE Healthcare, Northampton, MA and"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"2 GE Healthcare, Northampton, MA and","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5109114884","display_name":"Ronan O\u2019Brien","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"O'Brien, Ronan","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5038359667","display_name":"Jessica Martinsson","orcid":"https://orcid.org/0000-0003-3834-555X","observed_orcids":["https://orcid.org/0000-0003-3834-555X"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Martinsson, Jessica","raw_affiliation_strings":["3 Sprint Bioscience AB, Stockholm"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"3 Sprint Bioscience AB, Stockholm","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5081862200","display_name":"Kenth Halberg","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Halberg, Kenth","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009759742","display_name":"Martin E. Andersson","orcid":"https://orcid.org/0009-0001-5999-5482","observed_orcids":["https://orcid.org/0009-0001-5999-5482"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Andersson, Martin","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5051832282","display_name":"Martin Welin","orcid":"https://orcid.org/0000-0001-5786-1600","observed_orcids":["https://orcid.org/0000-0001-5786-1600"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Welin, Martin","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5069193991","display_name":"Mark E. Arsenault","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Arsenault, Mark","raw_affiliation_strings":["1 GE Healthcare Bio-Sciences AB, Uppsala, Sweden,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"1 GE Healthcare Bio-Sciences AB, Uppsala, Sweden,","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.03364982,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"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/T13539","display_name":"thermodynamics and calorimetric analyses","score":0.9926999807357788,"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"}},"topics":[{"id":"https://openalex.org/T13539","display_name":"thermodynamics and calorimetric analyses","score":0.9926999807357788,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.002400000113993883,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11908","display_name":"Protein Interaction Studies and Fluorescence Analysis","score":0.0013000000035390258,"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/isothermal-titration-calorimetry","display_name":"isothermal titration calorimetry","score":0.9020000100135803},{"id":"https://openalex.org/keywords/fragment-based-drug-discovery","display_name":"fragment-based drug discovery","score":0.875},{"id":"https://openalex.org/keywords/secondary-screening","display_name":"secondary screening","score":0.7879999876022339},{"id":"https://openalex.org/keywords/vps34","display_name":"Vps34","score":0.7940000295639038},{"id":"https://openalex.org/keywords/phosphatidylinositol-3-kinase","display_name":"phosphatidylinositol 3-kinase","score":0.9430000185966492},{"id":"https://openalex.org/keywords/autophagy","display_name":"autophagy","score":0.8970000147819519},{"id":"https://openalex.org/keywords/drug-resistance","display_name":"drug resistance","score":0.6650000214576721},{"id":"https://openalex.org/keywords/co-crystallization","display_name":"co-crystallization","score":0.7630000114440918}],"concepts":[{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.8174116611480713},{"id":"https://openalex.org/C2776235265","wikidata":"https://www.wikidata.org/wiki/Q18392052","display_name":"Fragment (logic)","level":2,"score":0.5809321403503418},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5554456114768982},{"id":"https://openalex.org/C51323132","wikidata":"https://www.wikidata.org/wiki/Q626251","display_name":"High-throughput screening","level":2,"score":0.4999504089355469},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.48427289724349976},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.48002973198890686},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.362661212682724},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.3377063274383545},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.32015901803970337},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.30860501527786255},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.24395084381103516},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2121969759464264},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.16947078704833984},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0953778326511383},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"pmh:oai:europepmc.org:2641384","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3635267","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":null,"raw_type":"Text"},{"id":"pmh:oai:pubmedcentral.nih.gov:3635267","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3635267","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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":"J Biomol Tech","raw_type":"Text"}],"best_oa_location":{"id":"pmh:oai:europepmc.org:2641384","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3635267","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":null,"raw_type":"Text"},"sustainable_development_goals":[{"score":0.4043000042438507,"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being"}],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2148704039","https://openalex.org/W1908904804","https://openalex.org/W1983208005","https://openalex.org/W2049259261","https://openalex.org/W4415278868","https://openalex.org/W2134503191","https://openalex.org/W6906498469","https://openalex.org/W2068171397","https://openalex.org/W2190501140","https://openalex.org/W1984781686"],"abstract_inverted_index":{"Background:":[0],"Recent":[1],"developments":[2],"in":[3,17,22,78,118,158,203],"ITC":[4,45,136,194],"instrumentation,":[5],"namely":[6],"MicroCal":[7,10,76],"iTC200":[8],"and":[9,20,90,109,147,173],"Auto-iTC200":[11],"have":[12,32,39],"led":[13],"to":[14,88,107,113,120],"an":[15,115],"increase":[16],"the":[18,23,27,41,49,60,73,79,98,142,150,165,184,193,204],"throughput":[19],"decrease":[21],"protein":[24],"consumption":[25],"of":[26,54,75,85,100,152],"technique.":[28],"In":[29],"addition,":[30],"there":[31],"been":[33,111,128],"recent":[34],"methodological":[35],"Advancements":[36],"1":[37],"that":[38,44,95,180,199],"extended":[40],"affinity":[42,151],"range":[43],"can":[46],"measure":[47],"into":[48],"mM":[50],"range.":[51],"The":[52],"combination":[53],"all":[55,153],"these":[56],"factors":[57],"has":[58,110,127],"made":[59],"technique":[61],"ideal":[62],"for":[63,133,144,177],"fragment-based":[64],"drug":[65,82,93],"discovery":[66,83],"(FBDD)":[67],"campaigns.":[68],"Method:":[69],"This":[70,102,169],"work":[71],"outlines":[72],"role":[74,117],"Auto-iTC200,":[77],"fragment":[80],"based":[81,191],"program":[84],"Sprint":[86],"Bioscience,":[87],"identify":[89],"optimize":[91],"potential":[92],"candidates":[94],"will":[96],"inhibit":[97],"activity":[99],"Vps34.":[101],"class":[103],"phosphatidylinositol3-kinase":[104],"is":[105,137],"central":[106],"autophagy":[108],"shown":[112],"play":[114],"important":[116],"resistance":[119],"cancer":[121],"drugs2,":[122],"3.":[123],"As":[124],"such":[125,149],"it":[126],"identified":[129],"as":[130,148],"a":[131,138],"target":[132,185],"therapeutic":[134],"intervention.":[135],"generic":[139],"assay":[140,145],"without":[141],"need":[143],"development":[146],"50":[154],"compounds":[155,189],"was":[156,171],"measured":[157],"less":[159],"than":[160],"three":[161],"days":[162],"after":[163],"receiving":[164],"purified":[166],"protein.":[167,186],"Conclusion:":[168],"approach":[170],"fast":[172],"proved":[174],"very":[175],"successful":[176],"identifying":[178],"fragments":[179],"co":[181],"crystallized":[182],"with":[183],"Of":[187],"the14":[188],"chosen,":[190],"on":[192],"data,":[195],"12":[196],"formed":[197],"crystals":[198],"could":[200],"be":[201],"used":[202],"optimization":[205],"process.":[206]},"counts_by_year":[],"updated_date":"2026-10-27T15:51:10.671819","created_date":"2016-06-24T00:00:00"}
