{"id":"https://openalex.org/W7078338581","doi":"https://doi.org/10.7907/hj9z-mp47","title":"Electrostatic Interactions in Chemistry and Biology","display_name":"Electrostatic Interactions in Chemistry and Biology","publication_year":2025,"publication_date":"2025-08-28","ids":{"openalex":"https://openalex.org/W7078338581","doi":"https://doi.org/10.7907/hj9z-mp47"},"language":"en","primary_location":{"id":"doi:10.7907/hj9z-mp47","doi":"https://doi.org/10.7907/hj9z-mp47","is_oa":true,"landing_page_url":"https://doi.org/10.7907/hj9z-mp47","pdf_url":null,"source":{"id":"https://openalex.org/S7407050848","display_name":"Caltech Library","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I122411786","host_organization_name":"California Institute of Technology","host_organization_lineage":["https://openalex.org/I122411786"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"thesis"},"volume":null,"type":"dissertation","indexed_in":["datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://doi.org/10.7907/hj9z-mp47","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":null,"display_name":"Gallivan, Justin Patrick","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I122411786","display_name":"California Institute of Technology","ror":"https://ror.org/05dxps055","country_code":"US","type":"education","lineage":["https://openalex.org/I122411786"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Gallivan, Justin Patrick","raw_affiliation_strings":["California Institute of Technology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"California Institute of Technology","institution_ids":["https://openalex.org/I122411786"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I122411786"],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"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":true,"primary_topic":{"id":"https://openalex.org/T10798","display_name":"Crystallography and molecular interactions","score":0.9541000127792358,"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/T10798","display_name":"Crystallography and molecular interactions","score":0.9541000127792358,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.0210999995470047,"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"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.007199999876320362,"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/cation-pi-interactions","display_name":"cation-\u03c0 interactions","score":0.9700000286102295},{"id":"https://openalex.org/keywords/electrostatic-interactions","display_name":"electrostatic interactions","score":0.9430000185966492},{"id":"https://openalex.org/keywords/nicotinic-acetylcholine-receptors","display_name":"nicotinic acetylcholine receptors","score":0.9629999995231628},{"id":"https://openalex.org/keywords/acetylcholine-binding","display_name":"acetylcholine binding","score":0.9779999852180481},{"id":"https://openalex.org/keywords/salt-bridges","display_name":"salt bridges","score":0.8320000171661377},{"id":"https://openalex.org/keywords/protein-structure","display_name":"protein structure","score":0.42800000309944153},{"id":"https://openalex.org/keywords/transmembrane-topology","display_name":"transmembrane topology","score":0.765999972820282},{"id":"https://openalex.org/keywords/integral-membrane-proteins","display_name":"integral membrane proteins","score":0.8820000290870667},{"id":"https://openalex.org/keywords/hydrogen-bonding","display_name":"hydrogen bonding","score":0.5979999899864197}],"concepts":[{"id":"https://openalex.org/C137277065","wikidata":"https://www.wikidata.org/wiki/Q2915446","display_name":"Non-covalent interactions","level":4,"score":0.6920999884605408},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6269999742507935},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.595300018787384},{"id":"https://openalex.org/C11804247","wikidata":"https://www.wikidata.org/wiki/Q896177","display_name":"Protein\u2013protein interaction","level":2,"score":0.5128999948501587},{"id":"https://openalex.org/C117626034","wikidata":"https://www.wikidata.org/wiki/Q26336","display_name":"Electrostatics","level":2,"score":0.4860000014305115},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.4659000039100647},{"id":"https://openalex.org/C2776840056","wikidata":"https://www.wikidata.org/wiki/Q412413","display_name":"Hexafluorobenzene","level":3,"score":0.46459999680519104},{"id":"https://openalex.org/C30765947","wikidata":"https://www.wikidata.org/wiki/Q899119","display_name":"Salt bridge","level":4,"score":0.4431000053882599},{"id":"https://openalex.org/C46000676","wikidata":"https://www.wikidata.org/wiki/Q804644","display_name":"Lone pair","level":3,"score":0.43470001220703125},{"id":"https://openalex.org/C179303850","wikidata":"https://www.wikidata.org/wiki/Q4300362","display_name":"Molecular recognition","level":3,"score":0.4140999913215637},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.41269999742507935},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.40720000863075256},{"id":"https://openalex.org/C90260826","wikidata":"https://www.wikidata.org/wiki/Q899157","display_name":"Hydrophobic effect","level":2,"score":0.4027000069618225},{"id":"https://openalex.org/C204323151","wikidata":"https://www.wikidata.org/wiki/Q905424","display_name":"Range (aeronautics)","level":2,"score":0.35499998927116394},{"id":"https://openalex.org/C87716614","wikidata":"https://www.wikidata.org/wiki/Q845744","display_name":"Static electricity","level":2,"score":0.34040001034736633},{"id":"https://openalex.org/C22499117","wikidata":"https://www.wikidata.org/wiki/Q2253702","display_name":"Interaction energy","level":3,"score":0.3319999873638153},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.3052000105381012},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.30489999055862427},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.3010999858379364},{"id":"https://openalex.org/C183971685","wikidata":"https://www.wikidata.org/wiki/Q547605","display_name":"Ab initio quantum chemistry methods","level":3,"score":0.3003000020980835},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.2971000075340271},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.29109999537467957},{"id":"https://openalex.org/C126061179","wikidata":"https://www.wikidata.org/wiki/Q189627","display_name":"van der Waals force","level":3,"score":0.289000004529953},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.2759000062942505},{"id":"https://openalex.org/C93282013","wikidata":"https://www.wikidata.org/wiki/Q420754","display_name":"Binding energy","level":2,"score":0.275299996137619},{"id":"https://openalex.org/C2982804355","wikidata":"https://www.wikidata.org/wiki/Q26336","display_name":"Electrostatic interaction","level":2,"score":0.2700999975204468},{"id":"https://openalex.org/C84114770","wikidata":"https://www.wikidata.org/wiki/Q46344","display_name":"Quantum","level":2,"score":0.2687999904155731},{"id":"https://openalex.org/C34814092","wikidata":"https://www.wikidata.org/wiki/Q2268418","display_name":"Counterion","level":3,"score":0.2535000145435333}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.7907/hj9z-mp47","doi":"https://doi.org/10.7907/hj9z-mp47","is_oa":true,"landing_page_url":"https://doi.org/10.7907/hj9z-mp47","pdf_url":null,"source":{"id":"https://openalex.org/S7407050848","display_name":"Caltech Library","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I122411786","host_organization_name":"California Institute of Technology","host_organization_lineage":["https://openalex.org/I122411786"],"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":"thesis"}],"best_oa_location":{"id":"doi:10.7907/hj9z-mp47","doi":"https://doi.org/10.7907/hj9z-mp47","is_oa":true,"landing_page_url":"https://doi.org/10.7907/hj9z-mp47","pdf_url":null,"source":{"id":"https://openalex.org/S7407050848","display_name":"Caltech Library","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I122411786","host_organization_name":"California Institute of Technology","host_organization_lineage":["https://openalex.org/I122411786"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"thesis"},"sustainable_development_goals":[],"sustainable_development_goals_aurora":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":[],"abstract_inverted_index":{"Electrostatic":[0],"interactions":[1,10,116,131,146,151,166,185],"such":[2],"as":[3],"hydrogen":[4],"bonds,":[5],"salt":[6,168,200],"bridges,":[7],"and":[8,50,80,167,173,230],"cation-\u03c0":[9,54,89,115,130,145,165,184],"play":[11],"a":[12,60,88,92,106,175,190,199,210,219,244,307,319,324],"large":[13],"role":[14,38],"in":[15,39,64,154,170,174,209,235,243,246,292,323],"structural":[16],"biology.":[17],"A":[18,290],"major":[19,93],"goal":[20],"of":[21,30,67,95,98,164,177,193,198,222,251,262,279,295,318,332],"this":[22],"thesis":[23],"is":[24,91,202,207,268,299],"to":[25,34,46,69,218,241,287],"build":[26],"upon":[27],"previous":[28],"studies":[29,278],"the":[31,65,70,96,101,122,162,196,226,236,248,255,260,263,280,288,293,315,329],"cation-1r":[32,61],"interaction":[33,62,90,224,227],"further":[35],"understand":[36,47],"its":[37],"biological":[40],"systems.":[41],"Put":[42],"simply,":[43],"we":[44,83,125,141,160,275,285,305],"wish":[45],"how,":[48],"when,":[49],"why":[51],"Nature":[52,113],"uses":[53],"interactions.":[55],"We":[56,103,213,232],"begin":[57],"by":[58,100],"highlighting":[59],"important":[63],"binding":[66],"acetylcholine":[68,72,99],"nicotinic":[71],"receptor":[73],"(nAChR).":[74],"By":[75,120],"combining":[76],"ab":[77],"initio":[78],"calculations":[79],"molecular":[81],"neurobiology,":[82],"provide":[84],"compelling":[85],"evidence":[86],"that":[87,127,183,234],"determinant":[94],"recognition":[97],"nAChR.":[102,289],"then":[104,214],"ask":[105,142],"broader":[107],"question:":[108],"To":[109,138],"what":[110,143],"extent":[111],"does":[112],"use":[114],"within":[117,135],"protein":[118,123,136],"structures?":[119],"surveying":[121],"databank,":[124],"demonstrate":[126],"energetically":[128],"significant":[129],"are":[132,257],"quite":[133],"common":[134],"structures.":[137],"explain":[139],"why,":[140],"advantages":[144],"have":[147],"over":[148,189],"other":[149],"noncovalent":[150],"commonly":[152],"found":[153],"proteins.":[155],"Using":[156],"quantum":[157],"mechanical":[158],"calculations,":[159],"study":[161,294],"strengths":[163],"bridges":[169],"both":[171],"water":[172,229,239],"range":[176,192],"organic":[178],"solvents.":[179],"The":[180],"results":[181],"suggest":[182],"maintain":[186],"their":[187,301],"strength":[188,197],"wide":[191],"solvents,":[194],"whereas":[195],"bridge":[201],"severely":[203],"attenuated":[204],"when":[205],"it":[206],"placed":[208],"high-dielectric":[211],"solvent.":[212],"turn":[215],"our":[216],"attention":[217],"different":[220],"type":[221],"electrostatic":[223],"-":[225],"between":[228],"hexafluorobenzene.":[231],"find":[233],"gas":[237],"phase,":[238],"binds":[240],"hexafluorobenzene":[242],"geometry":[245],"which":[247],"lone":[249],"pairs":[250],"electrons":[252],"located":[253],"on":[254],"oxygen":[256],"directed":[258],"towards":[259],"\u03c0-system":[261],"aromatic.":[264],"This":[265],"surprising":[266],"result":[267],"easily":[269],"explained":[270],"using":[271],"electrostatics.":[272],"In":[273],"addition,":[274],"present":[276,306],"computational":[277],"triphenylene\u00b7\u00b7\u00b7perfluorotriphenylene":[281],"\"supramolecular":[282],"synthon.\"":[283],"Finally,":[284],"return":[286],"challenge":[291],"integral":[296],"membrane":[297],"proteins":[298],"determining":[300,312],"transmembrane":[302,316],"topology.":[303],"Here":[304],"potentially":[308],"general":[309],"method":[310],"for":[311],"not":[313],"only":[314],"topology":[317],"functional":[320],"neuroreceptor":[321],"expressed":[322],"living":[325],"cell,":[326],"but":[327],"also":[328],"surface":[330],"accessibility":[331],"individual":[333],"amino":[334],"acids.":[335]},"counts_by_year":[],"updated_date":"2026-08-13T07:04:57.449891","created_date":"2025-10-10T00:00:00"}