{"id":"https://openalex.org/W2013090060","doi":"https://doi.org/10.1371/journal.pcbi.1004017","title":"Metadynamics Simulations Reveal a Na+ Independent Exiting Path of Galactose for the Inward-Facing Conformation of vSGLT","display_name":"Metadynamics Simulations Reveal a Na+ Independent Exiting Path of Galactose for the Inward-Facing Conformation of vSGLT","publication_year":2014,"publication_date":"2014-12-18","ids":{"openalex":"https://openalex.org/W2013090060","doi":"https://doi.org/10.1371/journal.pcbi.1004017","mag":"2013090060","pmid":"https://pubmed.ncbi.nlm.nih.gov/25522004"},"language":"en","primary_location":{"id":"doi:10.1371/journal.pcbi.1004017","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1004017","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1004017&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLoS Computational Biology","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1004017&type=printable","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5028518794","display_name":"Ina Bisha","orcid":"https://orcid.org/0009-0009-8609-6376"},"institutions":[{"id":"https://openalex.org/I138549579","display_name":"Scuola Internazionale Superiore di Studi Avanzati","ror":"https://ror.org/004fze387","country_code":"IT","type":"education","lineage":["https://openalex.org/I138549579"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Ina Bisha","raw_affiliation_strings":["SISSA, Trieste, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"SISSA, Trieste, Italy","institution_ids":["https://openalex.org/I138549579"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5085390890","display_name":"\u00c1lex Rodr\u00edguez","orcid":"https://orcid.org/0000-0002-0213-6695"},"institutions":[{"id":"https://openalex.org/I138549579","display_name":"Scuola Internazionale Superiore di Studi Avanzati","ror":"https://ror.org/004fze387","country_code":"IT","type":"education","lineage":["https://openalex.org/I138549579"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Alex Rodriguez","raw_affiliation_strings":["SISSA, Trieste, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"SISSA, Trieste, Italy","institution_ids":["https://openalex.org/I138549579"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5066542398","display_name":"Alessandro Laio","orcid":"https://orcid.org/0000-0001-9164-7907"},"institutions":[{"id":"https://openalex.org/I138549579","display_name":"Scuola Internazionale Superiore di Studi Avanzati","ror":"https://ror.org/004fze387","country_code":"IT","type":"education","lineage":["https://openalex.org/I138549579"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"Alessandro Laio","raw_affiliation_strings":["SISSA, Trieste, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"SISSA, Trieste, Italy","institution_ids":["https://openalex.org/I138549579"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5029026743","display_name":"Alessandra Magistrato","orcid":"https://orcid.org/0000-0002-2003-1985"},"institutions":[{"id":"https://openalex.org/I138549579","display_name":"Scuola Internazionale Superiore di Studi Avanzati","ror":"https://ror.org/004fze387","country_code":"IT","type":"education","lineage":["https://openalex.org/I138549579"]},{"id":"https://openalex.org/I2801626668","display_name":"AREA Science Park","ror":"https://ror.org/01dt7qh15","country_code":"IT","type":"archive","lineage":["https://openalex.org/I2801626668"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"Alessandra Magistrato","raw_affiliation_strings":["CNR-IOM-Democritos National Simulation Center, SISSA, Trieste, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"CNR-IOM-Democritos National Simulation Center, SISSA, Trieste, Italy","institution_ids":["https://openalex.org/I2801626668","https://openalex.org/I138549579"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5029026743","https://openalex.org/A5066542398"],"corresponding_institution_ids":["https://openalex.org/I138549579","https://openalex.org/I2801626668"],"apc_list":{"value":2655,"currency":"USD","value_usd":2655},"apc_paid":{"value":2655,"currency":"USD","value_usd":2655},"fwci":1.5651,"has_fulltext":true,"cited_by_count":24,"citation_normalized_percentile":{"value":0.82178853,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":98},"biblio":{"volume":"10","issue":"12","first_page":"e1004017","last_page":"e1004017"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10724","display_name":"Ion Transport and Channel Regulation","score":0.9976000189781189,"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/T10724","display_name":"Ion Transport and Channel Regulation","score":0.9976000189781189,"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/T10407","display_name":"Lipid Membrane Structure and Behavior","score":0.9879999756813049,"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/T10570","display_name":"Drug Transport and Resistance Mechanisms","score":0.9871000051498413,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/symporter","display_name":"Symporter","score":0.9218631386756897},{"id":"https://openalex.org/keywords/metadynamics","display_name":"Metadynamics","score":0.7876402139663696},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.7031916975975037},{"id":"https://openalex.org/keywords/galactose","display_name":"Galactose","score":0.6557117700576782},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.4821178913116455},{"id":"https://openalex.org/keywords/sodium","display_name":"Sodium","score":0.41974738240242004},{"id":"https://openalex.org/keywords/transporter","display_name":"Transporter","score":0.3606722354888916},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.3088093400001526},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.23768460750579834},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.13234764337539673},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.11760374903678894}],"concepts":[{"id":"https://openalex.org/C120405084","wikidata":"https://www.wikidata.org/wiki/Q285307","display_name":"Symporter","level":4,"score":0.9218631386756897},{"id":"https://openalex.org/C62752575","wikidata":"https://www.wikidata.org/wiki/Q6822487","display_name":"Metadynamics","level":3,"score":0.7876402139663696},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7031916975975037},{"id":"https://openalex.org/C2778173381","wikidata":"https://www.wikidata.org/wiki/Q66589593","display_name":"Galactose","level":2,"score":0.6557117700576782},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.4821178913116455},{"id":"https://openalex.org/C537181965","wikidata":"https://www.wikidata.org/wiki/Q658","display_name":"Sodium","level":2,"score":0.41974738240242004},{"id":"https://openalex.org/C149011108","wikidata":"https://www.wikidata.org/wiki/Q652985","display_name":"Transporter","level":3,"score":0.3606722354888916},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.3088093400001526},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.23768460750579834},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.13234764337539673},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.11760374903678894},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D005690","descriptor_name":"Galactose","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D005690","descriptor_name":"Galactose","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D005690","descriptor_name":"Galactose","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D005690","descriptor_name":"Galactose","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D005690","descriptor_name":"Galactose","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D005690","descriptor_name":"Galactose","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D007700","descriptor_name":"Kinetics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007700","descriptor_name":"Kinetics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007700","descriptor_name":"Kinetics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012964","descriptor_name":"Sodium","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D012964","descriptor_name":"Sodium","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D012964","descriptor_name":"Sodium","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D012964","descriptor_name":"Sodium","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D012964","descriptor_name":"Sodium","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D012964","descriptor_name":"Sodium","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D051247","descriptor_name":"Sodium-Glucose Transport Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D051247","descriptor_name":"Sodium-Glucose Transport Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D051247","descriptor_name":"Sodium-Glucose Transport Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D051247","descriptor_name":"Sodium-Glucose Transport Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D051247","descriptor_name":"Sodium-Glucose Transport Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D051247","descriptor_name":"Sodium-Glucose Transport Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":6,"locations":[{"id":"doi:10.1371/journal.pcbi.1004017","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1004017","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1004017&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLoS Computational Biology","raw_type":"journal-article"},{"id":"pmid:25522004","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/25522004","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"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":"PLoS computational biology","raw_type":null},{"id":"pmh:oai:arts.units.it:11368/3032526","is_oa":false,"landing_page_url":"http://hdl.handle.net/11368/3032526","pdf_url":null,"source":{"id":"https://openalex.org/S4306400480","display_name":"ArTS Archivio della ricerca di Trieste (University of Trieste https://www.units.it/)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I142444530","host_organization_name":"University of Trieste","host_organization_lineage":["https://openalex.org/I142444530"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null},{"id":"pmh:oai:doaj.org/article:62974d155aa741cc8f03b67f8d7c1234","is_oa":true,"landing_page_url":"https://doaj.org/article/62974d155aa741cc8f03b67f8d7c1234","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","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":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"PLoS Computational Biology, Vol 10, Iss 12, p e1004017 (2014)","raw_type":"article"},{"id":"pmh:oai:europepmc.org:3241868","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/4270436","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,"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Text"},{"id":"pmh:oai:figshare.com:article/1274660","is_oa":true,"landing_page_url":"https://figshare.com/articles/dataset/Metadynamics_Simulations_Reveal_a_Na_Independent_Exiting_Path_of_Galactose_for_the_Inward_Facing_Conformation_of_vSGLT/1274660","pdf_url":null,"source":{"id":"https://openalex.org/S4377196282","display_name":"Figshare","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210132348","host_organization_name":"Figshare (United Kingdom)","host_organization_lineage":["https://openalex.org/I4210132348"],"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":"Dataset"}],"best_oa_location":{"id":"doi:10.1371/journal.pcbi.1004017","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1004017","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1004017&type=printable","source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLoS Computational Biology","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.8500000238418579,"id":"https://metadata.un.org/sdg/7","display_name":"Affordable and clean energy"}],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2013090060.pdf","grobid_xml":"https://content.openalex.org/works/W2013090060.grobid-xml"},"referenced_works_count":55,"referenced_works":["https://openalex.org/W1966078827","https://openalex.org/W1967709045","https://openalex.org/W1980834070","https://openalex.org/W1986986500","https://openalex.org/W1987110948","https://openalex.org/W1988746728","https://openalex.org/W1991985645","https://openalex.org/W1995907662","https://openalex.org/W1997432723","https://openalex.org/W1998404217","https://openalex.org/W2015642465","https://openalex.org/W2018010932","https://openalex.org/W2019852932","https://openalex.org/W2020817480","https://openalex.org/W2027212364","https://openalex.org/W2029667189","https://openalex.org/W2030739493","https://openalex.org/W2031014879","https://openalex.org/W2035833733","https://openalex.org/W2036352136","https://openalex.org/W2036599186","https://openalex.org/W2047163848","https://openalex.org/W2049519918","https://openalex.org/W2050641174","https://openalex.org/W2065919348","https://openalex.org/W2067909030","https://openalex.org/W2069123478","https://openalex.org/W2073139135","https://openalex.org/W2077696969","https://openalex.org/W2079582937","https://openalex.org/W2084290194","https://openalex.org/W2087596773","https://openalex.org/W2091260123","https://openalex.org/W2092038404","https://openalex.org/W2094096129","https://openalex.org/W2095267065","https://openalex.org/W2097775366","https://openalex.org/W2098405353","https://openalex.org/W2104622728","https://openalex.org/W2108161822","https://openalex.org/W2111321455","https://openalex.org/W2117052585","https://openalex.org/W2127718379","https://openalex.org/W2133469996","https://openalex.org/W2146715369","https://openalex.org/W2147993766","https://openalex.org/W2148517939","https://openalex.org/W2149655632","https://openalex.org/W2149906170","https://openalex.org/W2153901755","https://openalex.org/W2164892580","https://openalex.org/W2167509522","https://openalex.org/W2170743627","https://openalex.org/W2321011166","https://openalex.org/W2325839695"],"related_works":["https://openalex.org/W2599759970","https://openalex.org/W1633592986","https://openalex.org/W1979607105","https://openalex.org/W4385857439","https://openalex.org/W2020879467","https://openalex.org/W2046727577","https://openalex.org/W4284989454","https://openalex.org/W2323902215","https://openalex.org/W1978074507","https://openalex.org/W2572104854"],"abstract_inverted_index":{"Sodium-Galactose":[0],"Transporter":[1],"(SGLT)":[2],"is":[3,81,108,146,155,161],"a":[4,67,158,200],"secondary":[5],"active":[6],"symporter":[7,61],"which":[8,206],"accumulates":[9],"sugars":[10],"into":[11,28,40],"cells":[12],"by":[13,211],"using":[14],"the":[15,21,29,33,41,44,56,74,78,91,97,103,121,126,133,140,149,152,170,177,180,193,215],"electrochemical":[16],"gradient":[17],"of":[18,32,47,55,59,73,77,94,99,106,125,142,169,172,190,195,214],"Na+":[19,100,129,143],"across":[20],"membrane.":[22],"Previous":[23],"computational":[24],"studies":[25],"provided":[26],"insights":[27],"release":[30,104,130],"process":[31],"two":[34,79,153],"ligands":[35,80,154],"(galactose":[36],"and":[37,70,128,144,179],"sodium":[38],"ion)":[39],"cytoplasm":[42],"from":[43],"inward-facing":[45],"conformation":[46],"Vibrio":[48],"parahaemolyticus":[49],"sodium/galactose":[50],"transporter":[51],"(vSGLT).":[52],"Several":[53],"aspects":[54],"transport":[57],"mechanism":[58],"this":[60,112,188],"remain":[62],"to":[63,119,157],"be":[64,208],"clarified:":[65],"(i)":[66],"detailed":[68],"kinetic":[69,185],"thermodynamic":[71],"characterization":[72],"exit":[75,141],"path":[76,105],"still":[82],"lacking;":[83],"(ii)":[84],"contradictory":[85],"conclusions":[86],"have":[87],"been":[88],"drawn":[89],"concerning":[90,187],"gating":[92],"role":[93,98],"Y263;":[95],"(iii)":[96],"in":[101,182],"modulating":[102],"galactose":[107,127,145],"not":[109,162],"clear.":[110],"In":[111],"work,":[113],"we":[114,137,198],"use":[115],"bias-exchange":[116],"metadynamics":[117],"simulations":[118],"characterize":[120],"free":[122],"energy":[123],"profile":[124],"processes":[131],"toward":[132],"intracellular":[134],"side.":[135],"Surprisingly,":[136],"find":[138],"that":[139,160],"non-concerted":[147],"as":[148],"cooperativity":[150],"between":[151],"associated":[156],"transition":[159],"rate":[163],"limiting.":[164],"The":[165],"dissociation":[166],"barriers":[167],"are":[168],"order":[171],"11-12":[173],"kcal/mol":[174],"for":[175],"both":[176],"ion":[178],"substrate,":[181],"line":[183],"with":[184],"information":[186],"type":[189],"transporters.":[191,217],"On":[192],"basis":[194],"these":[196],"results":[197],"propose":[199],"branched":[201],"six-state":[202],"alternating":[203],"access":[204],"mechanism,":[205],"may":[207],"shared":[209],"also":[210],"other":[212],"members":[213],"LeuT-fold":[216]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":4},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":4},{"year":2016,"cited_by_count":4},{"year":2015,"cited_by_count":3}],"updated_date":"2026-05-06T08:25:59.206177","created_date":"2025-10-10T00:00:00"}
