{"id":"https://openalex.org/W2012702104","doi":"https://doi.org/10.1145/2335755.2335839","title":"Ultrascan solution modeler","display_name":"Ultrascan solution modeler","publication_year":2012,"publication_date":"2012-07-16","ids":{"openalex":"https://openalex.org/W2012702104","doi":"https://doi.org/10.1145/2335755.2335839","mag":"2012702104"},"language":"en","primary_location":{"id":"doi:10.1145/2335755.2335839","is_oa":false,"landing_page_url":"https://doi.org/10.1145/2335755.2335839","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 1st Conference of the Extreme Science and Engineering Discovery Environment: Bridging from the eXtreme to the campus and beyond","raw_type":"proceedings-article"},"type":"conference-paper","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"http://hdl.handle.net/2022/14723","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5062638211","display_name":"Emre Brookes","orcid":"https://orcid.org/0000-0001-7348-6476"},"institutions":[{"id":"https://openalex.org/I165951966","display_name":"The University of Texas at San Antonio Health Science Center","ror":"https://ror.org/02f6dcw23","country_code":"US","type":"education","lineage":["https://openalex.org/I165951966","https://openalex.org/I45438204"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Emre Brookes","raw_affiliation_strings":["University of Texas Health Science Center at San Antonio, San Antonio, Texas","University of Texas Health Science Center at San Antonio, San Antonio, Texas,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Texas Health Science Center at San Antonio, San Antonio, Texas","institution_ids":["https://openalex.org/I165951966"]},{"raw_affiliation_string":"University of Texas Health Science Center at San Antonio, San Antonio, Texas,","institution_ids":["https://openalex.org/I165951966"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5073867090","display_name":"Raminderjeet Singh","orcid":null},"institutions":[{"id":"https://openalex.org/I4210119109","display_name":"Indiana University Bloomington","ror":"https://ror.org/02k40bc56","country_code":"US","type":"education","lineage":["https://openalex.org/I4210119109","https://openalex.org/I592451"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Raminderjeet Singh","raw_affiliation_strings":["Indiana University, Bloomington, IN"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Indiana University, Bloomington, IN","institution_ids":["https://openalex.org/I4210119109"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5082786549","display_name":"Marlon Pierce","orcid":"https://orcid.org/0000-0002-9582-5712"},"institutions":[{"id":"https://openalex.org/I4210119109","display_name":"Indiana University Bloomington","ror":"https://ror.org/02k40bc56","country_code":"US","type":"education","lineage":["https://openalex.org/I4210119109","https://openalex.org/I592451"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Marlon Pierce","raw_affiliation_strings":["Indiana University, Bloomington, IN"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Indiana University, Bloomington, IN","institution_ids":["https://openalex.org/I4210119109"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037778136","display_name":"Suresh Marru","orcid":"https://orcid.org/0000-0002-6374-095X"},"institutions":[{"id":"https://openalex.org/I4210119109","display_name":"Indiana University Bloomington","ror":"https://ror.org/02k40bc56","country_code":"US","type":"education","lineage":["https://openalex.org/I4210119109","https://openalex.org/I592451"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Suresh Marru","raw_affiliation_strings":["Indiana University, Bloomington, IN"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Indiana University, Bloomington, IN","institution_ids":["https://openalex.org/I4210119109"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5054673621","display_name":"Borries Demeler","orcid":"https://orcid.org/0000-0002-2414-9518"},"institutions":[{"id":"https://openalex.org/I165951966","display_name":"The University of Texas at San Antonio Health Science Center","ror":"https://ror.org/02f6dcw23","country_code":"US","type":"education","lineage":["https://openalex.org/I165951966","https://openalex.org/I45438204"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Borries Demeler","raw_affiliation_strings":["University of Texas Health Science Center at San Antonio, San Antonio, Texas","University of Texas Health Science Center at San Antonio, San Antonio, Texas,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Texas Health Science Center at San Antonio, San Antonio, Texas","institution_ids":["https://openalex.org/I165951966"]},{"raw_affiliation_string":"University of Texas Health Science Center at San Antonio, San Antonio, Texas,","institution_ids":["https://openalex.org/I165951966"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5087431120","display_name":"Mattia Rocco","orcid":"https://orcid.org/0000-0002-0456-7528"},"institutions":[{"id":"https://openalex.org/I4210146472","display_name":"Ospedale Policlinico San Martino","ror":"https://ror.org/04d7es448","country_code":"IT","type":"healthcare","lineage":["https://openalex.org/I4210146472","https://openalex.org/I4210153126","https://openalex.org/I4405264730"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Mattia Rocco","raw_affiliation_strings":["Biopolimeri e Proteomica, IRCCS AOU San Martino-IST, Genova, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Biopolimeri e Proteomica, IRCCS AOU San Martino-IST, Genova, Italy","institution_ids":["https://openalex.org/I4210146472"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":6.7421,"has_fulltext":true,"cited_by_count":8,"citation_normalized_percentile":{"value":0.96310415,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":null,"issue":null,"first_page":"1","last_page":"8"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9986000061035156,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9986000061035156,"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"}},{"id":"https://openalex.org/T10412","display_name":"Microfluidic and Capillary Electrophoresis Applications","score":0.9932000041007996,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11162","display_name":"Enzyme Structure and Function","score":0.9911999702453613,"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/computer-science","display_name":"Computer science","score":0.7253903150558472},{"id":"https://openalex.org/keywords/convergence","display_name":"Convergence (economics)","score":0.5517138242721558},{"id":"https://openalex.org/keywords/range","display_name":"Range (aeronautics)","score":0.5460576415061951},{"id":"https://openalex.org/keywords/software","display_name":"Software","score":0.4866195619106293},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.47845888137817383},{"id":"https://openalex.org/keywords/relaxation","display_name":"Relaxation (psychology)","score":0.46530681848526},{"id":"https://openalex.org/keywords/experimental-data","display_name":"Experimental data","score":0.45977509021759033},{"id":"https://openalex.org/keywords/molecular-biophysics","display_name":"Molecular biophysics","score":0.4157651960849762},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.17688757181167603},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.11776795983314514},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.09894877672195435}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7253903150558472},{"id":"https://openalex.org/C2777303404","wikidata":"https://www.wikidata.org/wiki/Q759757","display_name":"Convergence (economics)","level":2,"score":0.5517138242721558},{"id":"https://openalex.org/C204323151","wikidata":"https://www.wikidata.org/wiki/Q905424","display_name":"Range (aeronautics)","level":2,"score":0.5460576415061951},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.4866195619106293},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.47845888137817383},{"id":"https://openalex.org/C2776029896","wikidata":"https://www.wikidata.org/wiki/Q3935810","display_name":"Relaxation (psychology)","level":2,"score":0.46530681848526},{"id":"https://openalex.org/C55037315","wikidata":"https://www.wikidata.org/wiki/Q5421151","display_name":"Experimental data","level":2,"score":0.45977509021759033},{"id":"https://openalex.org/C70636015","wikidata":"https://www.wikidata.org/wiki/Q4300350","display_name":"Molecular biophysics","level":2,"score":0.4157651960849762},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.17688757181167603},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.11776795983314514},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.09894877672195435},{"id":"https://openalex.org/C162324750","wikidata":"https://www.wikidata.org/wiki/Q8134","display_name":"Economics","level":0,"score":0.0},{"id":"https://openalex.org/C77805123","wikidata":"https://www.wikidata.org/wiki/Q161272","display_name":"Social psychology","level":1,"score":0.0},{"id":"https://openalex.org/C50522688","wikidata":"https://www.wikidata.org/wiki/Q189833","display_name":"Economic growth","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},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"id":"https://openalex.org/C15744967","wikidata":"https://www.wikidata.org/wiki/Q9418","display_name":"Psychology","level":0,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1145/2335755.2335839","is_oa":false,"landing_page_url":"https://doi.org/10.1145/2335755.2335839","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 1st Conference of the Extreme Science and Engineering Discovery Environment: Bridging from the eXtreme to the campus and beyond","raw_type":"proceedings-article"},{"id":"pmh:oai:scholarworks.iu.edu:2022/14723","is_oa":true,"landing_page_url":"http://hdl.handle.net/2022/14723","pdf_url":"http://hdl.handle.net/2022/14723","source":{"id":"https://openalex.org/S4306400987","display_name":"IUScholarWorks (Indiana University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I592451","host_organization_name":"Indiana University","host_organization_lineage":["https://openalex.org/I592451"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Preprint"}],"best_oa_location":{"id":"pmh:oai:scholarworks.iu.edu:2022/14723","is_oa":true,"landing_page_url":"http://hdl.handle.net/2022/14723","pdf_url":"http://hdl.handle.net/2022/14723","source":{"id":"https://openalex.org/S4306400987","display_name":"IUScholarWorks (Indiana University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I592451","host_organization_name":"Indiana University","host_organization_lineage":["https://openalex.org/I592451"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Preprint"},"sustainable_development_goals":[{"score":0.6299999952316284,"id":"https://metadata.un.org/sdg/9","display_name":"Industry, innovation and infrastructure"}],"awards":[{"id":"https://openalex.org/G2194202076","display_name":null,"funder_award_id":"OCI-1032742TG-MCB070040N","funder_id":"https://openalex.org/F4320337397","funder_display_name":"Division of Molecular and Cellular Biosciences"},{"id":"https://openalex.org/G228435268","display_name":"Struct. Invest. of Hsp70 and TGFb by Solution Studies and High-Perform. Comput.","funder_award_id":"5k25gm090154-05","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G465260402","display_name":null,"funder_award_id":"OCI-1032742TG-MCB070040N","funder_id":"https://openalex.org/F4320337377","funder_display_name":"Office of Advanced Cyberinfrastructure"},{"id":"https://openalex.org/G6780528499","display_name":"SDCI NMI Improvement: Open Gateway Computing Environments - Tools for Cyberinfrastructure-Enabled Science and Education","funder_award_id":"1032742","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G978088683","display_name":"UltraScan Software Maintenance and Development","funder_award_id":"5r01rr022200-04","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320337377","display_name":"Office of Advanced Cyberinfrastructure","ror":"https://ror.org/04nh1dc89"},{"id":"https://openalex.org/F4320337397","display_name":"Division of Molecular and Cellular Biosciences","ror":"https://ror.org/002jdaq33"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2012702104.pdf","grobid_xml":"https://content.openalex.org/works/W2012702104.grobid-xml"},"referenced_works_count":36,"referenced_works":["https://openalex.org/W1488823512","https://openalex.org/W1575350781","https://openalex.org/W1604284211","https://openalex.org/W1851321823","https://openalex.org/W1964895229","https://openalex.org/W1969352420","https://openalex.org/W1970229217","https://openalex.org/W1982608296","https://openalex.org/W1988476098","https://openalex.org/W1991357892","https://openalex.org/W2008477481","https://openalex.org/W2011523421","https://openalex.org/W2019491820","https://openalex.org/W2028986856","https://openalex.org/W2042139529","https://openalex.org/W2047167799","https://openalex.org/W2056734463","https://openalex.org/W2063969260","https://openalex.org/W2066088601","https://openalex.org/W2072674961","https://openalex.org/W2080094180","https://openalex.org/W2093214796","https://openalex.org/W2095068655","https://openalex.org/W2098106514","https://openalex.org/W2118780761","https://openalex.org/W2129154270","https://openalex.org/W2130479394","https://openalex.org/W2142293947","https://openalex.org/W2144482528","https://openalex.org/W2148557238","https://openalex.org/W2156888318","https://openalex.org/W2170699469","https://openalex.org/W2171584335","https://openalex.org/W2465332131","https://openalex.org/W2590763898","https://openalex.org/W4244205805"],"related_works":["https://openalex.org/W1517908938","https://openalex.org/W2084105443","https://openalex.org/W2091618907","https://openalex.org/W226927276","https://openalex.org/W2281834912","https://openalex.org/W2042625933","https://openalex.org/W1489941249","https://openalex.org/W3123492739","https://openalex.org/W4320486059","https://openalex.org/W2494168571"],"abstract_inverted_index":{"UltraScan":[0],"Solution":[1],"Modeler":[2],"(US-SOMO)":[3],"processes":[4],"atomic":[5],"and":[6,13,25,30,33,65,75,84,92,121,149,179],"lower-resolution":[7],"bead":[8],"model":[9],"representations":[10],"of":[11,43,49,81,102,130,147],"biological":[12,50],"other":[14],"macromolecules":[15],"to":[16,40,62,117,132,182],"compute":[17],"various":[18],"hydrodynamic":[19],"parameters,":[20],"such":[21,69],"as":[22,59,70],"the":[23,119,162,165],"sedimentation":[24],"diffusion":[26],"coefficients,":[27],"relaxation":[28],"times":[29],"intrinsic":[31],"viscosity,":[32],"small":[34],"angle":[35],"scattering":[36],"curves,":[37],"that":[38,124],"contribute":[39],"our":[41,171],"understanding":[42,56],"molecular":[44,90],"structure":[45,52,91],"in":[46,55,87,99,113,161],"solution.":[47],"Knowledge":[48],"macromolecules'":[51],"aids":[53],"researchers":[54,176],"their":[57,187],"function":[58],"a":[60,79,100,127,177],"path":[61],"disease":[63,74],"prevention":[64],"therapeutics":[66],"for":[67],"conditions":[68],"cancer,":[71],"thrombosis,":[72],"Alzheimer's":[73],"others.":[76],"US-SOMO":[77],"provides":[78],"convergence":[80],"experimental,":[82],"computational,":[83],"modeling":[85],"techniques,":[86],"which":[88],"detailed":[89],"properties":[93],"are":[94],"determined":[95],"from":[96],"data":[97,137],"obtained":[98],"range":[101,129],"experimental":[103,136],"techniques":[104,139,166],"that,":[105],"by":[106],"themselves,":[107],"give":[108],"incomplete":[109],"information.":[110],"Our":[111,142],"goal":[112],"this":[114],"work":[115],"is":[116],"develop":[118],"infrastructure":[120],"user":[122,143],"interfaces":[123],"will":[125,173],"enable":[126],"wide":[128],"scientists":[131],"carry":[133],"out":[134],"complicated":[135],"analysis":[138],"on":[140,156],"XSEDE.":[141],"community":[144],"predominantly":[145],"consists":[146],"biophysics":[148],"structural":[150],"biology":[151],"researchers.":[152],"A":[153],"recent":[154],"search":[155],"PubMed":[157],"reports":[158],"9,205":[159],"papers":[160],"decade":[163],"referencing":[164],"we":[167],"support.":[168],"We":[169],"believe":[170],"software":[172],"provide":[174],"these":[175],"convenient":[178],"unique":[180],"framework":[181],"refine":[183],"structures,":[184],"thus":[185],"advancing":[186],"research.":[188]},"counts_by_year":[{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":2},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":3}],"updated_date":"2026-08-29T07:29:34.045763","created_date":"2016-06-24T00:00:00"}