{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,23]],"date-time":"2026-08-23T15:59:35Z","timestamp":1787500775571,"version":"build-2736575974"},"reference-count":62,"publisher":"Elsevier BV","issue":"11","license":[{"start":{"date-parts":[[2025,11,1]],"date-time":"2025-11-01T00:00:00Z","timestamp":1761955200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2025,11,1]],"date-time":"2025-11-01T00:00:00Z","timestamp":1761955200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2025,9,26]],"date-time":"2025-09-26T00:00:00Z","timestamp":1758844800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100022273","name":"Gauss Centre for Supercomputing","doi-asserted-by":"publisher","award":["VSK33"],"award-info":[{"award-number":["VSK33"]}],"id":[{"id":"10.13039\/501100022273","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100023739","name":"J\u00fclich Supercomputing Centre, Forschungszentrum J\u00fclich","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100023739","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002347","name":"Bundesministerium fur Bildung und Forschung Dienststelle Bonn","doi-asserted-by":"publisher","award":["01GM2204C"],"award-info":[{"award-number":["01GM2204C"]}],"id":[{"id":"10.13039\/501100002347","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002347","name":"Bundesministerium fur Bildung und Forschung Dienststelle Bonn","doi-asserted-by":"publisher","award":["01GM1904A"],"award-info":[{"award-number":["01GM1904A"]}],"id":[{"id":"10.13039\/501100002347","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002347","name":"Bundesministerium fur Bildung und Forschung Dienststelle Bonn","doi-asserted-by":"publisher","award":["01GM2204B"],"award-info":[{"award-number":["01GM2204B"]}],"id":[{"id":"10.13039\/501100002347","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002347","name":"Bundesministerium fur Bildung und Forschung Dienststelle Bonn","doi-asserted-by":"publisher","award":["01GM1904B"],"award-info":[{"award-number":["01GM1904B"]}],"id":[{"id":"10.13039\/501100002347","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002347","name":"Bundesministerium fur Bildung und Forschung Dienststelle Bonn","doi-asserted-by":"publisher","award":["01GM2204A"],"award-info":[{"award-number":["01GM2204A"]}],"id":[{"id":"10.13039\/501100002347","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100013137","name":"National Institute of Corrections","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100013137","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["jbc.org","elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Journal of Biological Chemistry"],"published-print":{"date-parts":[[2025,11]]},"DOI":"10.1016\/j.jbc.2025.110769","type":"journal-article","created":{"date-parts":[[2025,9,29]],"date-time":"2025-09-29T14:59:44Z","timestamp":1759157984000},"page":"110769","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":4,"title":["A farnesoid X receptor T296I variant disrupts ligand-induced FXR activation and thus bile acid transport in progressive familial intrahepatic cholestasis"],"prefix":"10.1016","volume":"301","author":[{"ORCID":"https:\/\/orcid.org\/0009-0007-8330-1632","authenticated-orcid":false,"given":"Annika","family":"Behrendt","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7410-7677","authenticated-orcid":false,"given":"Alex","family":"Bastianelli","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8760-1989","authenticated-orcid":false,"given":"Jan","family":"Stindt","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2446-4304","authenticated-orcid":false,"given":"Eva-Doreen","family":"Pfister","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3945-1517","authenticated-orcid":false,"given":"Malte","family":"Sgodda","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1382-9577","authenticated-orcid":false,"given":"Tobias","family":"Cantz","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sebastian","family":"Hook","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohanraj","family":"Gopalswamy","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kathrin","family":"Grau","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Stefanie","family":"Brands","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7634-5134","authenticated-orcid":false,"given":"Carola","family":"Dr\u00f6ge","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Amelie","family":"Stalke","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4411-7342","authenticated-orcid":false,"given":"Michele","family":"Bonus","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sabine","family":"Franke","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ulrich","family":"Baumann","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Verena","family":"Keitel","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Holger","family":"Gohlke","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.jbc.2025.110769_bib1","doi-asserted-by":"crossref","first-page":"657","DOI":"10.1016\/j.cld.2018.06.003","article-title":"Progressive familial intrahepatic cholestasis","volume":"22","author":"Bull","year":"2018","journal-title":"Clin. Liver Dis."},{"key":"10.1016\/j.jbc.2025.110769_bib2","doi-asserted-by":"crossref","DOI":"10.1016\/j.ejmg.2021.104317","article-title":"The spectrum of progressive familial intrahepatic cholestasis diseases: update on pathophysiology and emerging treatments","volume":"64","author":"Felzen","year":"2021","journal-title":"Eur. J. Med. Genet."},{"key":"10.1016\/j.jbc.2025.110769_bib3","doi-asserted-by":"crossref","first-page":"731","DOI":"10.1016\/S0092-8674(00)00062-3","article-title":"Targeted disruption of the nuclear receptor FXR\/BAR impairs bile acid and lipid homeostasis","volume":"102","author":"Sinal","year":"2000","journal-title":"Cell"},{"key":"10.1016\/j.jbc.2025.110769_bib4","doi-asserted-by":"crossref","first-page":"1308","DOI":"10.1016\/j.bbadis.2017.09.019","article-title":"Nuclear receptor FXR, bile acids and liver damage: introducing the progressive familial intrahepatic cholestasis with FXR mutations","volume":"1864","author":"Cariello","year":"2018","journal-title":"Biochim. Biophys. Acta"},{"key":"10.1016\/j.jbc.2025.110769_bib5","doi-asserted-by":"crossref","DOI":"10.1038\/ncomms10713","article-title":"Mutations in the nuclear bile acid receptor FXR cause progressive familial intrahepatic cholestasis","volume":"7","author":"Gomez-Ospina","year":"2016","journal-title":"Nat. Commun."},{"key":"10.1016\/j.jbc.2025.110769_bib6","doi-asserted-by":"crossref","DOI":"10.1097\/MPG.0000000000002670","article-title":"NR1H4 -related progressive familial intrahepatic cholestasis 5","volume":"70","author":"Himes","year":"2020","journal-title":"J. Pediatr. Gastroenterol. Nutr."},{"key":"10.1016\/j.jbc.2025.110769_bib7","doi-asserted-by":"crossref","first-page":"454","DOI":"10.1016\/j.jceh.2021.06.006","article-title":"Progressive familial intrahepatic cholestasis: a study in children from a liver transplant center in India","volume":"12","author":"Mehta","year":"2022","journal-title":"J. Clin. Exp. Hepatol."},{"key":"10.1016\/j.jbc.2025.110769_bib8","doi-asserted-by":"crossref","first-page":"670","DOI":"10.1016\/j.jhep.2023.11.028","article-title":"Genetic cholestasis in children and adults","volume":"80","author":"Nayagam","year":"2024","journal-title":"J. Hepatol."},{"key":"10.1016\/j.jbc.2025.110769_bib9","doi-asserted-by":"crossref","first-page":"3631","DOI":"10.12998\/wjcc.v9.i15.3631","article-title":"Progressive familial intrahepatic cholestasis \u2014 farnesoid X receptor deficiency due to NR1H4 mutation: a case report","volume":"9","author":"Czubkowski","year":"2021","journal-title":"World J. Clin. Cases"},{"key":"10.1016\/j.jbc.2025.110769_bib10","doi-asserted-by":"crossref","first-page":"1084","DOI":"10.1111\/liv.15200","article-title":"Extrahepatic manifestations of progressive familial intrahepatic cholestasis syndromes: presentation of a case series and literature review","volume":"42","author":"Pfister","year":"2022","journal-title":"Liver Int."},{"key":"10.1016\/j.jbc.2025.110769_bib11","doi-asserted-by":"crossref","first-page":"507","DOI":"10.1053\/j.gastro.2007.05.015","article-title":"Functional variants of the central bile acid sensor FXR identified in intrahepatic cholestasis of pregnancy","volume":"133","author":"van Mil","year":"2007","journal-title":"Gastroenterology"},{"key":"10.1016\/j.jbc.2025.110769_bib12","doi-asserted-by":"crossref","first-page":"1129","DOI":"10.1016\/j.neuron.2018.08.011","article-title":"Molecular dynamics simulation for all","volume":"99","author":"Hollingsworth","year":"2018","journal-title":"Neuron"},{"key":"10.1016\/j.jbc.2025.110769_bib13","doi-asserted-by":"crossref","DOI":"10.1038\/s41598-019-52319-x","article-title":"Atomistic simulations shed new light on the activation mechanisms of ROR\u03b3 and classify it as type III nuclear hormone receptor regarding ligand-binding paths","volume":"9","author":"Saen-Oon","year":"2019","journal-title":"Sci. Rep."},{"key":"10.1016\/j.jbc.2025.110769_bib14","doi-asserted-by":"crossref","first-page":"1794","DOI":"10.1038\/s41467-018-04176-x","article-title":"Defining a conformational ensemble that directs activation of PPAR\u03b3","volume":"9","author":"Chrisman","year":"2018","journal-title":"Nat. Commun."},{"key":"10.1016\/j.jbc.2025.110769_bib15","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1038\/s41467-019-10853-2","article-title":"Molecular tuning of farnesoid X receptor partial agonism","volume":"10","author":"Merk","year":"2019","journal-title":"Nat. Commun."},{"key":"10.1016\/j.jbc.2025.110769_bib16","doi-asserted-by":"crossref","first-page":"733","DOI":"10.1038\/42750","article-title":"A signature motif in transcriptional co-activators mediates binding to nuclear receptors","volume":"387","author":"Heery","year":"1997","journal-title":"Nature"},{"key":"10.1016\/j.jbc.2025.110769_bib17","doi-asserted-by":"crossref","first-page":"813","DOI":"10.1038\/415813a","article-title":"Structural basis for antagonist-mediated recruitment of nuclear co-repressors by PPAR\u03b1","volume":"415","author":"Xu","year":"2002","journal-title":"Nature"},{"key":"10.1016\/j.jbc.2025.110769_bib18","doi-asserted-by":"crossref","first-page":"1","DOI":"10.3389\/fmolb.2021.658312","article-title":"Conformational characterization of the Co-Activator binding site revealed the mechanism to achieve the bioactive state of FXR","volume":"8","author":"Kumari","year":"2021","journal-title":"Front. Mol. Biosci."},{"key":"10.1016\/j.jbc.2025.110769_bib19","doi-asserted-by":"crossref","first-page":"465","DOI":"10.1021\/acs.jpcb.2c06325","article-title":"Deciphering the structural determinants critical in attaining the FXR partial agonism","volume":"127","author":"Kumari","year":"2023","journal-title":"J. Phys. Chem. B"},{"key":"10.1016\/j.jbc.2025.110769_bib20","article-title":"When two become one: conformational changes in FXR\/RXR heterodimers bound to steroidal antagonists","volume":"18","author":"D\u00edaz-Holgu\u00edn","year":"2023","journal-title":"ChemMedChem"},{"key":"10.1016\/j.jbc.2025.110769_bib21","doi-asserted-by":"crossref","first-page":"1362","DOI":"10.1126\/science.284.5418.1362","article-title":"Identification of a nuclear receptor for bile acids","volume":"284","author":"Makishima","year":"1999","journal-title":"Science"},{"key":"10.1016\/j.jbc.2025.110769_bib22","doi-asserted-by":"crossref","first-page":"1365","DOI":"10.1126\/science.284.5418.1365","article-title":"Bile acids: natural ligands for an orphan nuclear receptor","volume":"284","author":"Parks","year":"1999","journal-title":"Science"},{"key":"10.1016\/j.jbc.2025.110769_bib23","doi-asserted-by":"crossref","first-page":"314","DOI":"10.1124\/dmd.120.000057","article-title":"Function and expression of bile salt export pump in suspension human hepatocytes","volume":"49","author":"Chothe","year":"2021","journal-title":"Drug Metab. Dispos"},{"key":"10.1016\/j.jbc.2025.110769_bib24","doi-asserted-by":"crossref","first-page":"3030","DOI":"10.1194\/jlr.M038323","article-title":"Mechanistic insights into isoform-dependent and species-specific regulation of bile salt export pump by farnesoid X receptor","volume":"54","author":"Song","year":"2013","journal-title":"J. Lipid Res."},{"key":"10.1016\/j.jbc.2025.110769_bib25","doi-asserted-by":"crossref","first-page":"28857","DOI":"10.1074\/jbc.M011610200","article-title":"Human bile salt export pump promoter is transactivated by the farnesoid X receptor\/bile acid receptor","volume":"276","author":"Ananthanarayanan","year":"2001","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.jbc.2025.110769_bib26","doi-asserted-by":"crossref","first-page":"1769","DOI":"10.1210\/me.2007-0025","article-title":"A common polymorphism in the bile acid receptor farnesoid X receptor is associated with decreased hepatic target gene expression","volume":"21","author":"Marzolini","year":"2007","journal-title":"Mol. Endocrinol."},{"key":"10.1016\/j.jbc.2025.110769_bib27","doi-asserted-by":"crossref","first-page":"1093","DOI":"10.1016\/S1097-2765(03)00112-6","article-title":"Structural basis for bile acid binding and activation of the nuclear receptor FXR","volume":"11","author":"Mi","year":"2003","journal-title":"Mol. Cell"},{"key":"10.1016\/j.jbc.2025.110769_bib28","doi-asserted-by":"crossref","first-page":"681","DOI":"10.1038\/378681a0","article-title":"Crystal structure of the RAR-Gamma ligand-binding domain bound to all-trans retinoic acid","volume":"378","author":"Renaud","year":"1995","journal-title":"Nature"},{"key":"10.1016\/j.jbc.2025.110769_bib29","doi-asserted-by":"crossref","first-page":"136","DOI":"10.1038\/nsb892","article-title":"A dynamic mechanism of nuclear receptor activation and its perturbation in a human disease","volume":"10","author":"Kallenberger","year":"2003","journal-title":"Nat. Struct. Biol."},{"key":"10.1016\/j.jbc.2025.110769_bib30","doi-asserted-by":"crossref","first-page":"137","DOI":"10.1038\/25931","article-title":"Ligand binding and co-activator assembly of the peroxisome proliferator-activated receptor-\u03b3","volume":"395","author":"Nolte","year":"1998","journal-title":"Nature"},{"key":"10.1016\/j.jbc.2025.110769_bib31","doi-asserted-by":"crossref","first-page":"543","DOI":"10.1016\/S1097-2765(00)80348-2","article-title":"Endogenous bile acids are ligands for the nuclear receptor FXR\/BAR","volume":"3","author":"Wang","year":"1999","journal-title":"Mol. Cell"},{"key":"10.1016\/j.jbc.2025.110769_bib32","doi-asserted-by":"crossref","first-page":"5825","DOI":"10.1038\/s41467-019-13768-0","article-title":"Definition of functionally and structurally distinct repressive states in the nuclear receptor PPAR\u03b3","volume":"10","author":"Heidari","year":"2019","journal-title":"Nat. Commun."},{"key":"10.1016\/j.jbc.2025.110769_bib33","doi-asserted-by":"crossref","first-page":"14398","DOI":"10.1074\/jbc.273.23.14398","article-title":"Structure and expression of the orphan nuclear receptor SHP gene","volume":"273","author":"Lee","year":"1998","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.jbc.2025.110769_bib34","doi-asserted-by":"crossref","first-page":"831","DOI":"10.1053\/j.gastro.2020.10.002","article-title":"High-fidelity drug-induced liver injury screen using human pluripotent stem cell\u2013derived organoids","volume":"160","author":"Shinozawa","year":"2021","journal-title":"Gastroenterology"},{"key":"10.1016\/j.jbc.2025.110769_bib35","doi-asserted-by":"crossref","first-page":"W296","DOI":"10.1093\/nar\/gky427","article-title":"SWISS-MODEL: homology modelling of protein structures and complexes","volume":"46","author":"Waterhouse","year":"2018","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.jbc.2025.110769_bib36","series-title":"Amber 2021","author":"Case","year":"2021"},{"key":"10.1016\/j.jbc.2025.110769_bib37","doi-asserted-by":"crossref","first-page":"3084","DOI":"10.1021\/ct400341p","article-title":"PTRAJ and CPPTRAJ: software for processing and analysis of molecular dynamics trajectory data","volume":"9","author":"Roe","year":"2013","journal-title":"J. Chem. Theor. Comput"},{"issue":"17","key":"10.1016\/j.jbc.2025.110769_bib39","doi-asserted-by":"crossref","first-page":"3569","DOI":"10.1021\/jm025529g","article-title":"6\u03b1-ethyl-chenodeoxycholic acid (6-ECDCA), a potent and selective FXR agonist endowed with anticholestatic activity","volume":"45","author":"Pellicciari","year":"2002","journal-title":"J Med Chem"},{"key":"10.1016\/j.jbc.2025.110769_bib40","first-page":"105","article-title":"The SLC10 carrier family: transport functions and molecular structure","author":"D\u00f6ring","year":"2012","journal-title":"Curr Top Membr"},{"key":"10.1016\/j.jbc.2025.110769_bib41","doi-asserted-by":"crossref","first-page":"1147","DOI":"10.1016\/j.bpj.2017.02.004","article-title":"Exploring binding mechanisms in nuclear hormone receptors by Monte Carlo and X-ray-derived motions","volume":"112","author":"Grebner","year":"2017","journal-title":"Biophys J"},{"key":"10.1016\/j.jbc.2025.110769_bib42","doi-asserted-by":"crossref","first-page":"3100","DOI":"10.1021\/acs.jcim.9b00360","article-title":"Ligand pathways in nuclear receptors","volume":"59","author":"Fischer","year":"2019","journal-title":"J Chem Inf Model"},{"key":"10.1016\/j.jbc.2025.110769_bib43","doi-asserted-by":"crossref","first-page":"3043","DOI":"10.1021\/ci300459k","article-title":"Unbinding pathways of GW4064 from human farnesoid X receptor as revealed by molecular dynamics simulations","volume":"52","author":"Li","year":"2012","journal-title":"J Chem Inf Model"},{"key":"10.1016\/j.jbc.2025.110769_bib44","doi-asserted-by":"crossref","first-page":"3021","DOI":"10.21105\/joss.03021","article-title":"seaborn: statistical data visualization","volume":"6","author":"Waskom","year":"2021","journal-title":"J Open Source Softw"},{"key":"10.1016\/j.jbc.2025.110769_bib45","doi-asserted-by":"crossref","first-page":"261","DOI":"10.1038\/s41592-019-0686-2","article-title":"SciPy 1.0: fundamental algorithms for scientific computing in Python","volume":"17","author":"Virtanen","year":"2020","journal-title":"Nat Methods"},{"key":"10.1016\/j.jbc.2025.110769_bib46","doi-asserted-by":"crossref","first-page":"98","DOI":"10.1016\/j.ab.2019.04.022","article-title":"CYP26A1 gene promoter is a useful tool for reporting RAR-mediated retinoid activity","volume":"577","author":"Zolfaghari","year":"2019","journal-title":"Anal Biochem"},{"key":"10.1016\/j.jbc.2025.110769_bib47","doi-asserted-by":"crossref","first-page":"765","DOI":"10.1002\/prot.22102","article-title":"Very fast prediction and rationalization of pKa values for protein-ligand complexes","volume":"73","author":"Bas","year":"2008","journal-title":"Proteins Struct Funct Bioinforma"},{"key":"10.1016\/j.jbc.2025.110769_bib48","doi-asserted-by":"crossref","first-page":"3696","DOI":"10.1021\/acs.jctc.5b00255","article-title":"ff14SB: improving the accuracy of protein side chain and backbone parameters from ff99SB","volume":"11","author":"Maier","year":"2015","journal-title":"J Chem Theory Comput"},{"key":"10.1016\/j.jbc.2025.110769_bib49","doi-asserted-by":"crossref","first-page":"926","DOI":"10.1063\/1.445869","article-title":"Comparison of simple potential functions for simulating liquid water","volume":"79","author":"Jorgensen","year":"1983","journal-title":"J Chem Phys"},{"key":"10.1016\/j.jbc.2025.110769_bib50","doi-asserted-by":"crossref","first-page":"10269","DOI":"10.1021\/j100142a004","article-title":"A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model","volume":"97","author":"Bayly","year":"1993","journal-title":"J Phys Chem"},{"key":"10.1016\/j.jbc.2025.110769_bib51","doi-asserted-by":"crossref","first-page":"W511","DOI":"10.1093\/nar\/gkr288","article-title":"R.E.D. Server: a web service for deriving RESP and ESP charges and building force field libraries for new molecules and molecular fragments","volume":"39","author":"Vanquelef","year":"2011","journal-title":"Nucleic Acids Res"},{"key":"10.1016\/j.jbc.2025.110769_bib52","doi-asserted-by":"crossref","first-page":"7821","DOI":"10.1039\/c0cp00111b","article-title":"The R.E.D. tools: advances in RESP and ESP charge derivation and force field library building","volume":"12","author":"Dupradeau","year":"2010","journal-title":"Phys Chem Chem Phys"},{"key":"10.1016\/j.jbc.2025.110769_bib53","series-title":"R.E.D. Python: Object oriented programming for Amber force fields","author":"Wang","year":"2013"},{"key":"10.1016\/j.jbc.2025.110769_bib54","doi-asserted-by":"crossref","first-page":"327","DOI":"10.1016\/0021-9991(77)90098-5","article-title":"Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes","volume":"23","author":"Ryckaert","year":"1977","journal-title":"J Comput Phys"},{"key":"10.1016\/j.jbc.2025.110769_bib55","doi-asserted-by":"crossref","first-page":"10089","DOI":"10.1063\/1.464397","article-title":"Particle mesh Ewald: an N \u22c5log ( N ) method for Ewald sums in large systems","volume":"98","author":"Darden","year":"1993","journal-title":"J Chem Phys"},{"key":"10.1016\/j.jbc.2025.110769_bib56","doi-asserted-by":"crossref","first-page":"1409","DOI":"10.1080\/00268978800101881","article-title":"An analysis of the accuracy of Langevin and molecular dynamics algorithms","volume":"65","author":"Pastor","year":"1988","journal-title":"Mol Phys"},{"key":"10.1016\/j.jbc.2025.110769_bib57","doi-asserted-by":"crossref","first-page":"3684","DOI":"10.1063\/1.448118","article-title":"Molecular dynamics with coupling to an external bath","volume":"81","author":"Berendsen","year":"1984","journal-title":"J Chem Phys"},{"key":"10.1016\/j.jbc.2025.110769_bib58","doi-asserted-by":"crossref","first-page":"1864","DOI":"10.1021\/ct5010406","article-title":"Long-time-step molecular dynamics through hydrogen mass repartitioning","volume":"11","author":"Hopkins","year":"2015","journal-title":"J Chem Theory Comput"},{"key":"10.1016\/j.jbc.2025.110769_bib59","doi-asserted-by":"crossref","first-page":"2695","DOI":"10.1093\/bioinformatics\/btl461","article-title":"Bio3d: an R package for the comparative analysis of protein structures","volume":"22","author":"Grant","year":"2006","journal-title":"Bioinformatics"},{"key":"10.1016\/j.jbc.2025.110769_bib60","doi-asserted-by":"crossref","first-page":"20","DOI":"10.1002\/pro.3923","article-title":"The Bio3D packages for structural bioinformatics","volume":"30","author":"Grant","year":"2020","journal-title":"Protein Sci"},{"key":"10.1016\/j.jbc.2025.110769_bib61","doi-asserted-by":"crossref","first-page":"399","DOI":"10.1186\/s12859-014-0399-6","article-title":"Integrating protein structural dynamics and evolutionary analysis with Bio3D","volume":"15","author":"Skj\u00e6rven","year":"2014","journal-title":"BMC Bioinform"},{"key":"10.1016\/j.jbc.2025.110769_bib62","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1016\/0263-7855(96)00018-5","article-title":"VMD - visual molecular dynamics","volume":"14","author":"Humphrey","year":"1996","journal-title":"J Molec Graph"},{"key":"10.1016\/j.jbc.2025.110769_bib38","article-title":"JUWELS cluster and booster: exascale pathfinder with modular supercomputing architecture at Juelich supercomputing centre","volume":"7","author":"Alvarez","year":"2021","journal-title":"J. Large Scale Res. Facil."}],"container-title":["Journal of Biological Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0021925825026213?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0021925825026213?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,3,11]],"date-time":"2026-03-11T17:57:00Z","timestamp":1773251820000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0021925825026213"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,11]]},"references-count":62,"journal-issue":{"issue":"11","published-print":{"date-parts":[[2025,11]]}},"alternative-id":["S0021925825026213"],"URL":"https:\/\/doi.org\/10.1016\/j.jbc.2025.110769","relation":{},"ISSN":["0021-9258"],"issn-type":[{"value":"0021-9258","type":"print"}],"subject":[],"published":{"date-parts":[[2025,11]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"A farnesoid X receptor T296I variant disrupts ligand-induced FXR activation and thus bile acid transport in progressive familial intrahepatic cholestasis","name":"articletitle","label":"Article Title"},{"value":"Journal of Biological Chemistry","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.jbc.2025.110769","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2025 The Authors. Published by Elsevier Inc on behalf of American Society for Biochemistry and Molecular Biology\u00e9","name":"copyright","label":"Copyright"}],"article-number":"110769"}}