{"id":"https://openalex.org/W4311780067","doi":"https://doi.org/10.1007/s11036-022-02057-8","title":"Predicting Supramolecular Structure from the Statistics of Individual Molecular Events","display_name":"Predicting Supramolecular Structure from the Statistics of Individual Molecular Events","publication_year":2022,"publication_date":"2022-12-01","ids":{"openalex":"https://openalex.org/W4311780067","doi":"https://doi.org/10.1007/s11036-022-02057-8"},"language":"en","primary_location":{"id":"doi:10.1007/s11036-022-02057-8","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s11036-022-02057-8","pdf_url":"https://link.springer.com/content/pdf/10.1007/s11036-022-02057-8.pdf","source":{"id":"https://openalex.org/S192894947","display_name":"Mobile Networks and Applications","issn_l":"1383-469X","issn":["1383-469X","1572-8153"],"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Mobile Networks and Applications","raw_type":"journal-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://link.springer.com/content/pdf/10.1007/s11036-022-02057-8.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5043605738","display_name":"Kevin R. Pilkiewicz","orcid":"https://orcid.org/0000-0002-3278-2268"},"institutions":[{"id":"https://openalex.org/I4210088792","display_name":"United States Army","ror":"https://ror.org/00afsp483","country_code":"US","type":"government","lineage":["https://openalex.org/I1304082316","https://openalex.org/I1330347796","https://openalex.org/I4210088792"]},{"id":"https://openalex.org/I87303767","display_name":"U.S. Army Engineer Research and Development Center","ror":"https://ror.org/027mhn368","country_code":"US","type":"facility","lineage":["https://openalex.org/I1304082316","https://openalex.org/I1306490931","https://openalex.org/I1330347796","https://openalex.org/I87303767"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Kevin R. Pilkiewicz","raw_affiliation_strings":["U.S. Army Engineer Research and Development Center, Vicksburg, Mississippi, 39180, USA"],"affiliations":[{"raw_affiliation_string":"U.S. Army Engineer Research and Development Center, Vicksburg, Mississippi, 39180, USA","institution_ids":["https://openalex.org/I87303767","https://openalex.org/I4210088792"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5018203536","display_name":"Pratip Rana","orcid":"https://orcid.org/0000-0001-9199-2479"},"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"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Pratip Rana","raw_affiliation_strings":["Department of Computer Science, Virginia Commonwealth University, Richmond, VA, 23284, USA"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science, Virginia Commonwealth University, Richmond, VA, 23284, USA","institution_ids":["https://openalex.org/I184840846"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5045705423","display_name":"Michael L. Mayo","orcid":"https://orcid.org/0000-0001-9014-1859"},"institutions":[{"id":"https://openalex.org/I4210088792","display_name":"United States Army","ror":"https://ror.org/00afsp483","country_code":"US","type":"government","lineage":["https://openalex.org/I1304082316","https://openalex.org/I1330347796","https://openalex.org/I4210088792"]},{"id":"https://openalex.org/I87303767","display_name":"U.S. Army Engineer Research and Development Center","ror":"https://ror.org/027mhn368","country_code":"US","type":"facility","lineage":["https://openalex.org/I1304082316","https://openalex.org/I1306490931","https://openalex.org/I1330347796","https://openalex.org/I87303767"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Michael L. Mayo","raw_affiliation_strings":["U.S. Army Engineer Research and Development Center, Vicksburg, Mississippi, 39180, USA"],"affiliations":[{"raw_affiliation_string":"U.S. Army Engineer Research and Development Center, Vicksburg, Mississippi, 39180, USA","institution_ids":["https://openalex.org/I87303767","https://openalex.org/I4210088792"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5080886331","display_name":"Preetam Ghosh","orcid":"https://orcid.org/0000-0003-3880-5886"},"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"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Preetam Ghosh","raw_affiliation_strings":["Department of Computer Science, Virginia Commonwealth University, Richmond, VA, 23284, USA"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science, Virginia Commonwealth University, Richmond, VA, 23284, USA","institution_ids":["https://openalex.org/I184840846"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5043605738"],"corresponding_institution_ids":["https://openalex.org/I4210088792","https://openalex.org/I87303767"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.09416825,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"28","issue":"2","first_page":"491","last_page":"498"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11471","display_name":"Block Copolymer Self-Assembly","score":0.9995999932289124,"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/T11471","display_name":"Block Copolymer Self-Assembly","score":0.9995999932289124,"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/T10578","display_name":"Supramolecular Chemistry and Complexes","score":0.9988999962806702,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic 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/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.9984999895095825,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/leverage","display_name":"Leverage (statistics)","score":0.7834943532943726},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7135762572288513},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.6147265434265137},{"id":"https://openalex.org/keywords/ergodicity","display_name":"Ergodicity","score":0.6091391444206238},{"id":"https://openalex.org/keywords/context","display_name":"Context (archaeology)","score":0.5294845700263977},{"id":"https://openalex.org/keywords/supramolecular-chemistry","display_name":"Supramolecular chemistry","score":0.42028379440307617},{"id":"https://openalex.org/keywords/statistical-mechanics","display_name":"Statistical mechanics","score":0.4153269827365875},{"id":"https://openalex.org/keywords/theoretical-computer-science","display_name":"Theoretical computer science","score":0.4036577641963959},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.22380569577217102},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.22316670417785645},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.21897178888320923},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.18230634927749634},{"id":"https://openalex.org/keywords/statistics","display_name":"Statistics","score":0.09321710467338562},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.0889727771282196}],"concepts":[{"id":"https://openalex.org/C153083717","wikidata":"https://www.wikidata.org/wiki/Q6535263","display_name":"Leverage (statistics)","level":2,"score":0.7834943532943726},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7135762572288513},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.6147265434265137},{"id":"https://openalex.org/C201779956","wikidata":"https://www.wikidata.org/wiki/Q5426803","display_name":"Ergodicity","level":2,"score":0.6091391444206238},{"id":"https://openalex.org/C2779343474","wikidata":"https://www.wikidata.org/wiki/Q3109175","display_name":"Context (archaeology)","level":2,"score":0.5294845700263977},{"id":"https://openalex.org/C93275456","wikidata":"https://www.wikidata.org/wiki/Q756449","display_name":"Supramolecular chemistry","level":3,"score":0.42028379440307617},{"id":"https://openalex.org/C99874945","wikidata":"https://www.wikidata.org/wiki/Q188715","display_name":"Statistical mechanics","level":2,"score":0.4153269827365875},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.4036577641963959},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.22380569577217102},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.22316670417785645},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.21897178888320923},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.18230634927749634},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.09321710467338562},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0889727771282196},{"id":"https://openalex.org/C151730666","wikidata":"https://www.wikidata.org/wiki/Q7205","display_name":"Paleontology","level":1,"score":0.0},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1007/s11036-022-02057-8","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s11036-022-02057-8","pdf_url":"https://link.springer.com/content/pdf/10.1007/s11036-022-02057-8.pdf","source":{"id":"https://openalex.org/S192894947","display_name":"Mobile Networks and Applications","issn_l":"1383-469X","issn":["1383-469X","1572-8153"],"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Mobile Networks and Applications","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.1007/s11036-022-02057-8","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s11036-022-02057-8","pdf_url":"https://link.springer.com/content/pdf/10.1007/s11036-022-02057-8.pdf","source":{"id":"https://openalex.org/S192894947","display_name":"Mobile Networks and Applications","issn_l":"1383-469X","issn":["1383-469X","1572-8153"],"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Mobile Networks and Applications","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G234598640","display_name":null,"funder_award_id":"NSF-CBET","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G4660770996","display_name":null,"funder_award_id":"US Army","funder_id":"https://openalex.org/F4320306078","funder_display_name":"U.S. Department of Defense"},{"id":"https://openalex.org/G4819782425","display_name":null,"funder_award_id":"NSF-CBET 1802588","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G6889630163","display_name":null,"funder_award_id":"1802588","funder_id":"https://openalex.org/F4320337390","funder_display_name":"Division of Chemical, Bioengineering, Environmental, and Transport Systems"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320306078","display_name":"U.S. Department of Defense","ror":"https://ror.org/0447fe631"},{"id":"https://openalex.org/F4320337390","display_name":"Division of Chemical, Bioengineering, Environmental, and Transport Systems","ror":"https://ror.org/0471zv972"},{"id":"https://openalex.org/F4320337538","display_name":"U.S. Army Corps of Engineers","ror":"https://ror.org/05w4e8v21"},{"id":"https://openalex.org/F4320338258","display_name":"Engineer Research and Development Center","ror":"https://ror.org/027mhn368"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4311780067.pdf","grobid_xml":"https://content.openalex.org/works/W4311780067.grobid-xml"},"referenced_works_count":15,"referenced_works":["https://openalex.org/W1965743698","https://openalex.org/W1970577444","https://openalex.org/W1972228705","https://openalex.org/W1978687186","https://openalex.org/W1991638646","https://openalex.org/W1994583662","https://openalex.org/W2000966264","https://openalex.org/W2001141773","https://openalex.org/W2002606670","https://openalex.org/W2009858479","https://openalex.org/W2034228483","https://openalex.org/W2075508769","https://openalex.org/W2771852644","https://openalex.org/W2793684414","https://openalex.org/W2964348945"],"related_works":["https://openalex.org/W2566459624","https://openalex.org/W2473829657","https://openalex.org/W2145274768","https://openalex.org/W2313545085","https://openalex.org/W2381286475","https://openalex.org/W2152685658","https://openalex.org/W3091331701","https://openalex.org/W2392918297","https://openalex.org/W3124353475","https://openalex.org/W187931287"],"abstract_inverted_index":{"Abstract":[0],"As":[1],"manipulating":[2],"the":[3,11,16,26,40,47,61,68,72,81,91,98,114,142],"self-assembly":[4,95],"of":[5,77,93,116,132,140,146],"supramolecular":[6],"and":[7,28,74,135],"nanoscale":[8],"constructs":[9],"at":[10],"single-molecule":[12],"level":[13],"increasingly":[14],"becomes":[15],"norm,":[17],"new":[18],"theoretical":[19],"scaffolds":[20],"must":[21],"be":[22,152],"erected":[23],"to":[24,33,60,83,96,107,119,159],"replace":[25],"thermodynamic":[27],"kinetics":[29],"based":[30],"models":[31,67],"used":[32],"describe":[34],"traditional":[35],"bulk":[36],"phase":[37],"syntheses.":[38],"Like":[39],"statistical":[41],"mechanics":[42],"underpinning":[43],"these":[44,88],"latter":[45],"theories,":[46],"framework":[48,118],"we":[49],"propose":[50],"uses":[51],"state":[52],"probabilities":[53,70,89],"as":[54],"its":[55],"fundamental":[56],"objects;":[57],"but,":[58],"contrary":[59],"Gibbsian":[62],"paradigm,":[63],"our":[64],"theory":[65],"directly":[66],"transition":[69],"between":[71],"initial":[73],"final":[75],"states":[76],"a":[78,102,108,120,138,148],"trajectory,":[79],"foregoing":[80],"need":[82],"assume":[84],"ergodicity.":[85],"We":[86,112],"leverage":[87],"in":[90,123],"context":[92],"molecular":[94],"compute":[97],"overall":[99],"likelihood":[100],"that":[101],"specified":[103],"experimental":[104],"condition":[105],"leads":[106],"desired":[109],"structural":[110],"outcome.":[111],"demonstrate":[113],"application":[115],"this":[117],"toy":[121],"model":[122,150],"which":[124],"N":[125],"identical":[126],"molecules":[127],"can":[128,151],"assemble":[129],"into":[130],"oligomers":[131],"different":[133],"lengths":[134],"conclude":[136],"with":[137],"discussion":[139],"how":[141],"high":[143],"computational":[144],"cost":[145],"such":[147],"fine-grained":[149],"overcome":[153],"through":[154],"approximation":[155],"when":[156],"extending":[157],"it":[158],"larger,":[160],"more":[161],"complex":[162],"systems.":[163]},"counts_by_year":[],"updated_date":"2026-04-10T15:06:20.359241","created_date":"2025-10-10T00:00:00"}
