{"id":"https://openalex.org/W2020661842","doi":"https://doi.org/10.1021/ci700450w","title":"Activation Mechanism of the Human Histamine H4 Receptor - An Explicit Membrane Molecular Dynamics Simulation Study","display_name":"Activation Mechanism of the Human Histamine H4 Receptor - An Explicit Membrane Molecular Dynamics Simulation Study","publication_year":2008,"publication_date":"2008-06-01","ids":{"openalex":"https://openalex.org/W2020661842","doi":"https://doi.org/10.1021/ci700450w","mag":"2020661842","pmid":"https://pubmed.ncbi.nlm.nih.gov/18572901"},"language":"en","primary_location":{"id":"doi:10.1021/ci700450w","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci700450w","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5041227433","display_name":"R\u00f3bert Kiss","orcid":"https://orcid.org/0000-0002-2879-6325"},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"R\u00f3bert Kiss","raw_affiliation_strings":["Department of Chemistry and Chemical Informatics, Faculty of Education, University of Szeged, Boldogasszony sgt. 6., H-6725 Szeged, Hungary, Department of Pharmacodynamics and Biopharmacy, Faculty of Pharmacy, University of Szeged, E\u00f6tv\u00f6s u. 6., H-6720 Szeged, Hungary, Department of Pharmaceutical Chemistry, Semmelweis University, H\u00f5gyes Endre u. 9., H-1092 Budapest, Hungary, Gedeon Richter Plc, Gy\u00f6mr\u00f5i \u00fat 19-21., H-1103 Budapest, Hungary, and Department of General and Analytical Chemistry, Budapest"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Chemical Informatics, Faculty of Education, University of Szeged, Boldogasszony sgt. 6., H-6725 Szeged, Hungary, Department of Pharmacodynamics and Biopharmacy, Faculty of Pharmacy, University of Szeged, E\u00f6tv\u00f6s u. 6., H-6720 Szeged, Hungary, Department of Pharmaceutical Chemistry, Semmelweis University, H\u00f5gyes Endre u. 9., H-1092 Budapest, Hungary, Gedeon Richter Plc, Gy\u00f6mr\u00f5i \u00fat 19-21., H-1103 Budapest, Hungary, and Department of General and Analytical Chemistry, Budapest","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5051348572","display_name":"B\u00e9la Viskolcz","orcid":"https://orcid.org/0000-0002-0777-9569"},"institutions":[{"id":"https://openalex.org/I227486990","display_name":"University of Szeged","ror":"https://ror.org/01pnej532","country_code":"HU","type":"education","lineage":["https://openalex.org/I227486990"]}],"countries":["HU"],"is_corresponding":false,"raw_author_name":"B\u00e9la Viskolcz","raw_affiliation_strings":["Department of Chemistry and Chemical Informatics, Faculty of Education, University of Szeged, Boldogasszony sgt. 6., H-6725 Szeged, Hungary, Department of Pharmacodynamics and Biopharmacy, Faculty of Pharmacy, University of Szeged, E\u00f6tv\u00f6s u. 6., H-6720 Szeged, Hungary, Department of Pharmaceutical Chemistry, Semmelweis University, H\u00f5gyes Endre u. 9., H-1092 Budapest, Hungary, Gedeon Richter Plc, Gy\u00f6mr\u00f5i \u00fat 19-21., H-1103 Budapest, Hungary, and Department of General and Analytical Chemistry, Budapest","Szegedi Tudomanyegyetem"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Chemical Informatics, Faculty of Education, University of Szeged, Boldogasszony sgt. 6., H-6725 Szeged, Hungary, Department of Pharmacodynamics and Biopharmacy, Faculty of Pharmacy, University of Szeged, E\u00f6tv\u00f6s u. 6., H-6720 Szeged, Hungary, Department of Pharmaceutical Chemistry, Semmelweis University, H\u00f5gyes Endre u. 9., H-1092 Budapest, Hungary, Gedeon Richter Plc, Gy\u00f6mr\u00f5i \u00fat 19-21., H-1103 Budapest, Hungary, and Department of General and Analytical Chemistry, Budapest","institution_ids":[]},{"raw_affiliation_string":"Szegedi Tudomanyegyetem","institution_ids":["https://openalex.org/I227486990"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5022888378","display_name":"Gy\u00f6rgy M. Keser\u0171","orcid":"https://orcid.org/0000-0003-1039-7809"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Gy\u00f6rgy M. Keser\u0171","raw_affiliation_strings":["Department of Chemistry and Chemical Informatics, Faculty of Education, University of Szeged, Boldogasszony sgt. 6., H-6725 Szeged, Hungary, Department of Pharmacodynamics and Biopharmacy, Faculty of Pharmacy, University of Szeged, E\u00f6tv\u00f6s u. 6., H-6720 Szeged, Hungary, Department of Pharmaceutical Chemistry, Semmelweis University, H\u00f5gyes Endre u. 9., H-1092 Budapest, Hungary, Gedeon Richter Plc, Gy\u00f6mr\u00f5i \u00fat 19-21., H-1103 Budapest, Hungary, and Department of General and Analytical Chemistry, Budapest"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Chemical Informatics, Faculty of Education, University of Szeged, Boldogasszony sgt. 6., H-6725 Szeged, Hungary, Department of Pharmacodynamics and Biopharmacy, Faculty of Pharmacy, University of Szeged, E\u00f6tv\u00f6s u. 6., H-6720 Szeged, Hungary, Department of Pharmaceutical Chemistry, Semmelweis University, H\u00f5gyes Endre u. 9., H-1092 Budapest, Hungary, Gedeon Richter Plc, Gy\u00f6mr\u00f5i \u00fat 19-21., H-1103 Budapest, Hungary, and Department of General and Analytical Chemistry, Budapest","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5041227433"],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":2.424,"has_fulltext":false,"cited_by_count":39,"citation_normalized_percentile":{"value":0.88671853,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"48","issue":"6","first_page":"1199","last_page":"1210"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11178","display_name":"Receptor Mechanisms and Signaling","score":1.0,"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/T11178","display_name":"Receptor Mechanisms and Signaling","score":1.0,"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/T10911","display_name":"Chemical Synthesis and Analysis","score":0.9975000023841858,"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/T10814","display_name":"Neuropeptides and Animal Physiology","score":0.9972000122070312,"subfield":{"id":"https://openalex.org/subfields/2804","display_name":"Cellular and Molecular Neuroscience"},"field":{"id":"https://openalex.org/fields/28","display_name":"Neuroscience"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/histamine","display_name":"Histamine","score":0.8422585725784302},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.7558246850967407},{"id":"https://openalex.org/keywords/histamine-receptor","display_name":"Histamine receptor","score":0.7187582850456238},{"id":"https://openalex.org/keywords/intracellular","display_name":"Intracellular","score":0.6908993124961853},{"id":"https://openalex.org/keywords/activator","display_name":"Activator (genetics)","score":0.5859863758087158},{"id":"https://openalex.org/keywords/helix","display_name":"Helix (gastropod)","score":0.5755097270011902},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5677238702774048},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.5535712838172913},{"id":"https://openalex.org/keywords/homology-modeling","display_name":"Homology modeling","score":0.5245309472084045},{"id":"https://openalex.org/keywords/g-protein-coupled-receptor","display_name":"G protein-coupled receptor","score":0.524185836315155},{"id":"https://openalex.org/keywords/histamine-h4-receptor","display_name":"Histamine H4 receptor","score":0.4480054974555969},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.4230273365974426},{"id":"https://openalex.org/keywords/histamine-h1-receptor","display_name":"Histamine H1 receptor","score":0.42254769802093506},{"id":"https://openalex.org/keywords/antagonist","display_name":"Antagonist","score":0.37504079937934875},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.35261574387550354},{"id":"https://openalex.org/keywords/histamine-h2-receptor","display_name":"Histamine H2 receptor","score":0.33538293838500977},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.24256762862205505},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.2290358543395996},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.14507383108139038},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.13883796334266663},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.10290354490280151}],"concepts":[{"id":"https://openalex.org/C1122143","wikidata":"https://www.wikidata.org/wiki/Q61233","display_name":"Histamine","level":2,"score":0.8422585725784302},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.7558246850967407},{"id":"https://openalex.org/C159545944","wikidata":"https://www.wikidata.org/wiki/Q424228","display_name":"Histamine receptor","level":4,"score":0.7187582850456238},{"id":"https://openalex.org/C79879829","wikidata":"https://www.wikidata.org/wiki/Q5571762","display_name":"Intracellular","level":2,"score":0.6908993124961853},{"id":"https://openalex.org/C88045685","wikidata":"https://www.wikidata.org/wiki/Q174576","display_name":"Activator (genetics)","level":3,"score":0.5859863758087158},{"id":"https://openalex.org/C2778530040","wikidata":"https://www.wikidata.org/wiki/Q1937315","display_name":"Helix (gastropod)","level":3,"score":0.5755097270011902},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5677238702774048},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.5535712838172913},{"id":"https://openalex.org/C169627665","wikidata":"https://www.wikidata.org/wiki/Q5767913","display_name":"Homology modeling","level":3,"score":0.5245309472084045},{"id":"https://openalex.org/C135285700","wikidata":"https://www.wikidata.org/wiki/Q38173","display_name":"G protein-coupled receptor","level":3,"score":0.524185836315155},{"id":"https://openalex.org/C30862142","wikidata":"https://www.wikidata.org/wiki/Q288382","display_name":"Histamine H4 receptor","level":5,"score":0.4480054974555969},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.4230273365974426},{"id":"https://openalex.org/C10335311","wikidata":"https://www.wikidata.org/wiki/Q309513","display_name":"Histamine H1 receptor","level":4,"score":0.42254769802093506},{"id":"https://openalex.org/C2776885963","wikidata":"https://www.wikidata.org/wiki/Q245204","display_name":"Antagonist","level":3,"score":0.37504079937934875},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.35261574387550354},{"id":"https://openalex.org/C34400551","wikidata":"https://www.wikidata.org/wiki/Q311568","display_name":"Histamine H2 receptor","level":4,"score":0.33538293838500977},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.24256762862205505},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2290358543395996},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.14507383108139038},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.13883796334266663},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.10290354490280151},{"id":"https://openalex.org/C18903297","wikidata":"https://www.wikidata.org/wiki/Q7150","display_name":"Ecology","level":1,"score":0.0},{"id":"https://openalex.org/C2779965526","wikidata":"https://www.wikidata.org/wiki/Q308841","display_name":"Snail","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D000074040","descriptor_name":"Receptors, Histamine H4","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000074040","descriptor_name":"Receptors, Histamine H4","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000074040","descriptor_name":"Receptors, Histamine H4","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002462","descriptor_name":"Cell Membrane","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D002462","descriptor_name":"Cell Membrane","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D002462","descriptor_name":"Cell Membrane","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D005110","descriptor_name":"Extracellular Space","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D005110","descriptor_name":"Extracellular Space","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D005110","descriptor_name":"Extracellular Space","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D006632","descriptor_name":"Histamine","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D006632","descriptor_name":"Histamine","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D006632","descriptor_name":"Histamine","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D006632","descriptor_name":"Histamine","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D006632","descriptor_name":"Histamine","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D006632","descriptor_name":"Histamine","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D006632","descriptor_name":"Histamine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D006632","descriptor_name":"Histamine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D006632","descriptor_name":"Histamine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007211","descriptor_name":"Indoles","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D007211","descriptor_name":"Indoles","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D007211","descriptor_name":"Indoles","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D007211","descriptor_name":"Indoles","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D007211","descriptor_name":"Indoles","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D007211","descriptor_name":"Indoles","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D009068","descriptor_name":"Movement","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009068","descriptor_name":"Movement","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009068","descriptor_name":"Movement","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010713","descriptor_name":"Phosphatidylcholines","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010713","descriptor_name":"Phosphatidylcholines","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010713","descriptor_name":"Phosphatidylcholines","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010879","descriptor_name":"Piperazines","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D010879","descriptor_name":"Piperazines","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D010879","descriptor_name":"Piperazines","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D010879","descriptor_name":"Piperazines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010879","descriptor_name":"Piperazines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010879","descriptor_name":"Piperazines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011522","descriptor_name":"Protons","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011522","descriptor_name":"Protons","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011522","descriptor_name":"Protons","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011968","descriptor_name":"Receptors, Histamine","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011968","descriptor_name":"Receptors, Histamine","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011968","descriptor_name":"Receptors, Histamine","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011968","descriptor_name":"Receptors, Histamine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011968","descriptor_name":"Receptors, Histamine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011968","descriptor_name":"Receptors, Histamine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017124","descriptor_name":"Conserved Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017124","descriptor_name":"Conserved Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017124","descriptor_name":"Conserved Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017433","descriptor_name":"Protein Structure, Secondary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017433","descriptor_name":"Protein Structure, Secondary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017433","descriptor_name":"Protein Structure, Secondary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D042541","descriptor_name":"Intracellular Space","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D042541","descriptor_name":"Intracellular Space","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D042541","descriptor_name":"Intracellular Space","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/ci700450w","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci700450w","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:18572901","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/18572901","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":"Journal of chemical information and modeling","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320321038","display_name":"Fonds National de la Recherche Luxembourg","ror":"https://ror.org/039z13y21"},{"id":"https://openalex.org/F4320321994","display_name":"Hungarian Scientific Research Fund","ror":"https://ror.org/00v349e63"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":55,"referenced_works":["https://openalex.org/W1736189198","https://openalex.org/W1825353903","https://openalex.org/W1833104430","https://openalex.org/W1967490656","https://openalex.org/W1969861936","https://openalex.org/W1971888466","https://openalex.org/W1972789755","https://openalex.org/W1975137637","https://openalex.org/W1976258716","https://openalex.org/W1977442509","https://openalex.org/W1978098394","https://openalex.org/W1980410928","https://openalex.org/W1983461608","https://openalex.org/W1988564488","https://openalex.org/W1992858430","https://openalex.org/W1995540896","https://openalex.org/W2000510012","https://openalex.org/W2002736499","https://openalex.org/W2010379115","https://openalex.org/W2015688756","https://openalex.org/W2019742616","https://openalex.org/W2023095808","https://openalex.org/W2026069569","https://openalex.org/W2029667189","https://openalex.org/W2032640312","https://openalex.org/W2033312860","https://openalex.org/W2036575757","https://openalex.org/W2039316365","https://openalex.org/W2041937465","https://openalex.org/W2043360059","https://openalex.org/W2047399603","https://openalex.org/W2055547342","https://openalex.org/W2056650602","https://openalex.org/W2067174909","https://openalex.org/W2069123478","https://openalex.org/W2072516696","https://openalex.org/W2084013653","https://openalex.org/W2089090006","https://openalex.org/W2104477830","https://openalex.org/W2112329754","https://openalex.org/W2125991290","https://openalex.org/W2128394148","https://openalex.org/W2140388304","https://openalex.org/W2146511657","https://openalex.org/W2147993766","https://openalex.org/W2149963584","https://openalex.org/W2150981663","https://openalex.org/W2152494908","https://openalex.org/W2152997175","https://openalex.org/W2158606064","https://openalex.org/W2167509522","https://openalex.org/W2186316037","https://openalex.org/W2398461013","https://openalex.org/W2952274194","https://openalex.org/W4406065813"],"related_works":["https://openalex.org/W1980703880","https://openalex.org/W2017972623","https://openalex.org/W4376225150","https://openalex.org/W639473593","https://openalex.org/W2416699177","https://openalex.org/W147020135","https://openalex.org/W2465881826","https://openalex.org/W2397908999","https://openalex.org/W1982404225","https://openalex.org/W2054977943"],"abstract_inverted_index":{"Molecular":[0],"dynamics":[1],"(MD)":[2],"simulations":[3,119,167],"in":[4,24,50,57,70,112,140,146,157,174,181],"a":[5],"membrane-embedded":[6],"environment":[7],"were":[8],"carried":[9],"out":[10],"on":[11,76],"the":[12,16,33,41,44,51,58,64,81,117,121,125,141,147,150,158,166,175,182],"homology":[13],"model":[14],"of":[15,43,61,84,116,120,136,143,149,153,160,165,177],"human":[17],"histamine":[18,30,62,98],"H4":[19],"receptor":[20],"(hH4R)":[21],"alone":[22],"and":[23,31,95,124],"complex":[25,127],"with":[26,32,72,102],"its":[27],"endogenous":[28],"activator":[29],"first":[34],"reported":[35],"selective":[36],"hH4R":[37,52,113,123,179],"antagonist":[38],"JNJ7777120.":[39],"During":[40],"simulation":[42,139],"histamine-hH4R":[45],"complex,":[46],"considerable":[47],"changes":[48,68],"occurred":[49],"structure":[53],"as":[54,56,170],"well":[55],"interaction":[59,101],"pattern":[60],"at":[63],"binding":[65],"site.":[66],"These":[67],"are":[69],"agreement":[71],"experimental":[73],"data":[74],"published":[75],"GPCR":[77],"activation.":[78,114],"In":[79],"particular,":[80],"intracellular":[82,151],"side":[83,152],"TM":[85,92,154,161],"helix":[86,155,162],"VI":[87,156],"moved":[88],"significantly":[89],"away":[90],"from":[91],"helices":[93],"III":[94],"VII.":[96],"Moreover,":[97],"formed":[99],"an":[100,133],"Asn147":[103],"(4.57)":[104],"that":[105,129],"was":[106],"previously":[107],"proved":[108],"to":[109],"be":[110],"important":[111],"Results":[115],"MD":[118,138],"native":[122],"JNJ7777120-hH4R":[126],"suggest":[128],"these":[130],"models":[131,173],"represent":[132],"inactive":[134],"conformation":[135],"hH4R.":[137],"presence":[142],"JNJ7777120":[144],"resulted":[145],"movement":[148],"direction":[159],"III.":[163],"Snapshots":[164],"may":[168],"serve":[169],"functionally":[171],"relevant":[172],"development":[176],"novel":[178],"ligands":[180],"future.":[183]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2018,"cited_by_count":2},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":3},{"year":2014,"cited_by_count":3},{"year":2013,"cited_by_count":5},{"year":2012,"cited_by_count":4}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2016-06-24T00:00:00"}
