{"id":"https://openalex.org/W4407771512","doi":"https://doi.org/10.1021/acs.jcim.4c02229","title":"Digging out the Molecular Connections between the Catalytic Mechanism of Human Lysosomal \u03b1-Mannosidase and Its Pathophysiology","display_name":"Digging out the Molecular Connections between the Catalytic Mechanism of Human Lysosomal \u03b1-Mannosidase and Its Pathophysiology","publication_year":2025,"publication_date":"2025-02-20","ids":{"openalex":"https://openalex.org/W4407771512","doi":"https://doi.org/10.1021/acs.jcim.4c02229","pmid":"https://pubmed.ncbi.nlm.nih.gov/39976451"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.4c02229","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c02229","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","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":true,"oa_status":"hybrid","oa_url":"https://doi.org/10.1021/acs.jcim.4c02229","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5084716539","display_name":"Bruno Di Geronimo","orcid":"https://orcid.org/0000-0003-1822-7142"},"institutions":[{"id":"https://openalex.org/I202276237","display_name":"Medical University of Graz","ror":"https://ror.org/02n0bts35","country_code":"AT","type":"education","lineage":["https://openalex.org/I202276237"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Bruno Di Geronimo","raw_affiliation_strings":["Laboratory of Computer-Aided Molecular Design, Division of Medicinal Chemistry, Otto-Loewi Research Center, Medical University of Graz, Neue Stiftingtalstr. 6/III, A-8010 Graz, Austria"],"affiliations":[{"raw_affiliation_string":"Laboratory of Computer-Aided Molecular Design, Division of Medicinal Chemistry, Otto-Loewi Research Center, Medical University of Graz, Neue Stiftingtalstr. 6/III, A-8010 Graz, Austria","institution_ids":["https://openalex.org/I202276237"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5104988870","display_name":"\u0160pela Mandl","orcid":null},"institutions":[{"id":"https://openalex.org/I202276237","display_name":"Medical University of Graz","ror":"https://ror.org/02n0bts35","country_code":"AT","type":"education","lineage":["https://openalex.org/I202276237"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"\u0160pela Mandl","raw_affiliation_strings":["Laboratory of Computer-Aided Molecular Design, Division of Medicinal Chemistry, Otto-Loewi Research Center, Medical University of Graz, Neue Stiftingtalstr. 6/III, A-8010 Graz, Austria"],"affiliations":[{"raw_affiliation_string":"Laboratory of Computer-Aided Molecular Design, Division of Medicinal Chemistry, Otto-Loewi Research Center, Medical University of Graz, Neue Stiftingtalstr. 6/III, A-8010 Graz, Austria","institution_ids":["https://openalex.org/I202276237"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5087592714","display_name":"Santiago Alonso\u2010Gil","orcid":"https://orcid.org/0000-0001-7596-8161"},"institutions":[{"id":"https://openalex.org/I129774422","display_name":"University of Vienna","ror":"https://ror.org/03prydq77","country_code":"AT","type":"education","lineage":["https://openalex.org/I129774422"]},{"id":"https://openalex.org/I2802916955","display_name":"Max Perutz Labs","ror":"https://ror.org/05cz70a34","country_code":"AT","type":"facility","lineage":["https://openalex.org/I2802916955"]},{"id":"https://openalex.org/I4210142901","display_name":"Vienna Biocenter","ror":"https://ror.org/04khwmr87","country_code":"AT","type":"other","lineage":["https://openalex.org/I4210142901"]}],"countries":["AT"],"is_corresponding":true,"raw_author_name":"Santiago Alonso-Gil","raw_affiliation_strings":["Department of Structural and Computational Biology, Vienna Biocenter, University of Vienna, Campus Vienna Biocenter 5, A-1030 Vienna, Austria","Max Perutz Labs, Vienna Biocenter Campus (VBC), Campus Vienna Biocenter 5, 1030 Vienna, Austria"],"affiliations":[{"raw_affiliation_string":"Department of Structural and Computational Biology, Vienna Biocenter, University of Vienna, Campus Vienna Biocenter 5, A-1030 Vienna, Austria","institution_ids":["https://openalex.org/I4210142901","https://openalex.org/I129774422"]},{"raw_affiliation_string":"Max Perutz Labs, Vienna Biocenter Campus (VBC), Campus Vienna Biocenter 5, 1030 Vienna, Austria","institution_ids":["https://openalex.org/I2802916955","https://openalex.org/I4210142901"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5089609962","display_name":"Bojan \u017dagrovi\u0107","orcid":"https://orcid.org/0000-0003-3814-3675"},"institutions":[{"id":"https://openalex.org/I129774422","display_name":"University of Vienna","ror":"https://ror.org/03prydq77","country_code":"AT","type":"education","lineage":["https://openalex.org/I129774422"]},{"id":"https://openalex.org/I2802916955","display_name":"Max Perutz Labs","ror":"https://ror.org/05cz70a34","country_code":"AT","type":"facility","lineage":["https://openalex.org/I2802916955"]},{"id":"https://openalex.org/I4210142901","display_name":"Vienna Biocenter","ror":"https://ror.org/04khwmr87","country_code":"AT","type":"other","lineage":["https://openalex.org/I4210142901"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Bojan \u017dagrovi\u0107","raw_affiliation_strings":["Department of Structural and Computational Biology, Vienna Biocenter, University of Vienna, Campus Vienna Biocenter 5, A-1030 Vienna, Austria","Max Perutz Labs, Vienna Biocenter Campus (VBC), Campus Vienna Biocenter 5, 1030 Vienna, Austria"],"affiliations":[{"raw_affiliation_string":"Department of Structural and Computational Biology, Vienna Biocenter, University of Vienna, Campus Vienna Biocenter 5, A-1030 Vienna, Austria","institution_ids":["https://openalex.org/I4210142901","https://openalex.org/I129774422"]},{"raw_affiliation_string":"Max Perutz Labs, Vienna Biocenter Campus (VBC), Campus Vienna Biocenter 5, 1030 Vienna, Austria","institution_ids":["https://openalex.org/I2802916955","https://openalex.org/I4210142901"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024654230","display_name":"Gilbert Reibnegger","orcid":"https://orcid.org/0000-0001-7202-2426"},"institutions":[{"id":"https://openalex.org/I202276237","display_name":"Medical University of Graz","ror":"https://ror.org/02n0bts35","country_code":"AT","type":"education","lineage":["https://openalex.org/I202276237"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Gilbert Reibnegger","raw_affiliation_strings":["Laboratory of Computer-Aided Molecular Design, Division of Medicinal Chemistry, Otto-Loewi Research Center, Medical University of Graz, Neue Stiftingtalstr. 6/III, A-8010 Graz, Austria"],"affiliations":[{"raw_affiliation_string":"Laboratory of Computer-Aided Molecular Design, Division of Medicinal Chemistry, Otto-Loewi Research Center, Medical University of Graz, Neue Stiftingtalstr. 6/III, A-8010 Graz, Austria","institution_ids":["https://openalex.org/I202276237"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5018030530","display_name":"Christoph Nusshold","orcid":null},"institutions":[{"id":"https://openalex.org/I202276237","display_name":"Medical University of Graz","ror":"https://ror.org/02n0bts35","country_code":"AT","type":"education","lineage":["https://openalex.org/I202276237"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Christoph Nusshold","raw_affiliation_strings":["Laboratory of Computer-Aided Molecular Design, Division of Medicinal Chemistry, Otto-Loewi Research Center, Medical University of Graz, Neue Stiftingtalstr. 6/III, A-8010 Graz, Austria"],"affiliations":[{"raw_affiliation_string":"Laboratory of Computer-Aided Molecular Design, Division of Medicinal Chemistry, Otto-Loewi Research Center, Medical University of Graz, Neue Stiftingtalstr. 6/III, A-8010 Graz, Austria","institution_ids":["https://openalex.org/I202276237"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5066158393","display_name":"Pedro A. S\u00e1nchez\u2010Murcia","orcid":"https://orcid.org/0000-0001-8415-870X"},"institutions":[{"id":"https://openalex.org/I202276237","display_name":"Medical University of Graz","ror":"https://ror.org/02n0bts35","country_code":"AT","type":"education","lineage":["https://openalex.org/I202276237"]},{"id":"https://openalex.org/I4210117258","display_name":"BioTechMed-Graz","ror":"https://ror.org/02jfbm483","country_code":"AT","type":"facility","lineage":["https://openalex.org/I4210117258"]}],"countries":["AT"],"is_corresponding":true,"raw_author_name":"Pedro A. S\u00e1nchez-Murcia","raw_affiliation_strings":["BioTechMed-Graz, Mozartgasse 12/II, A-8010 Graz, Austria","Laboratory of Computer-Aided Molecular Design, Division of Medicinal Chemistry, Otto-Loewi Research Center, Medical University of Graz, Neue Stiftingtalstr. 6/III, A-8010 Graz, Austria"],"affiliations":[{"raw_affiliation_string":"BioTechMed-Graz, Mozartgasse 12/II, A-8010 Graz, Austria","institution_ids":["https://openalex.org/I4210117258"]},{"raw_affiliation_string":"Laboratory of Computer-Aided Molecular Design, Division of Medicinal Chemistry, Otto-Loewi Research Center, Medical University of Graz, Neue Stiftingtalstr. 6/III, A-8010 Graz, Austria","institution_ids":["https://openalex.org/I202276237"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":7,"corresponding_author_ids":["https://openalex.org/A5066158393","https://openalex.org/A5087592714"],"corresponding_institution_ids":["https://openalex.org/I129774422","https://openalex.org/I202276237","https://openalex.org/I2802916955","https://openalex.org/I4210117258","https://openalex.org/I4210142901"],"apc_list":null,"apc_paid":null,"fwci":1.0426,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.70797138,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":95},"biblio":{"volume":"65","issue":"5","first_page":"2650","last_page":"2659"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T13415","display_name":"Calcium signaling and nucleotide metabolism","score":0.9991999864578247,"subfield":{"id":"https://openalex.org/subfields/1314","display_name":"Physiology"},"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/T13415","display_name":"Calcium signaling and nucleotide metabolism","score":0.9991999864578247,"subfield":{"id":"https://openalex.org/subfields/1314","display_name":"Physiology"},"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/T10835","display_name":"Carbohydrate Chemistry and Synthesis","score":0.9980000257492065,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10945","display_name":"Lysosomal Storage Disorders Research","score":0.996399998664856,"subfield":{"id":"https://openalex.org/subfields/2737","display_name":"Physiology"},"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/mechanism","display_name":"Mechanism (biology)","score":0.7782882452011108},{"id":"https://openalex.org/keywords/mannosidase","display_name":"Mannosidase","score":0.6856391429901123},{"id":"https://openalex.org/keywords/pathophysiology","display_name":"Pathophysiology","score":0.5354998111724854},{"id":"https://openalex.org/keywords/digging","display_name":"Digging","score":0.489521861076355},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.42888665199279785},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.3674447238445282},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.35438811779022217},{"id":"https://openalex.org/keywords/cell-biology","display_name":"Cell biology","score":0.33161354064941406},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.2218998372554779},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.13229268789291382},{"id":"https://openalex.org/keywords/epistemology","display_name":"Epistemology","score":0.08938121795654297},{"id":"https://openalex.org/keywords/philosophy","display_name":"Philosophy","score":0.08765572309494019},{"id":"https://openalex.org/keywords/endocrinology","display_name":"Endocrinology","score":0.075033038854599},{"id":"https://openalex.org/keywords/geography","display_name":"Geography","score":0.061856597661972046}],"concepts":[{"id":"https://openalex.org/C89611455","wikidata":"https://www.wikidata.org/wiki/Q6804646","display_name":"Mechanism (biology)","level":2,"score":0.7782882452011108},{"id":"https://openalex.org/C2777174400","wikidata":"https://www.wikidata.org/wiki/Q6750944","display_name":"Mannosidase","level":3,"score":0.6856391429901123},{"id":"https://openalex.org/C10162356","wikidata":"https://www.wikidata.org/wiki/Q1135939","display_name":"Pathophysiology","level":2,"score":0.5354998111724854},{"id":"https://openalex.org/C2779080342","wikidata":"https://www.wikidata.org/wiki/Q4232202","display_name":"Digging","level":2,"score":0.489521861076355},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.42888665199279785},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.3674447238445282},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.35438811779022217},{"id":"https://openalex.org/C95444343","wikidata":"https://www.wikidata.org/wiki/Q7141","display_name":"Cell biology","level":1,"score":0.33161354064941406},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2218998372554779},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.13229268789291382},{"id":"https://openalex.org/C111472728","wikidata":"https://www.wikidata.org/wiki/Q9471","display_name":"Epistemology","level":1,"score":0.08938121795654297},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.08765572309494019},{"id":"https://openalex.org/C134018914","wikidata":"https://www.wikidata.org/wiki/Q162606","display_name":"Endocrinology","level":1,"score":0.075033038854599},{"id":"https://openalex.org/C205649164","wikidata":"https://www.wikidata.org/wiki/Q1071","display_name":"Geography","level":0,"score":0.061856597661972046},{"id":"https://openalex.org/C166957645","wikidata":"https://www.wikidata.org/wiki/Q23498","display_name":"Archaeology","level":1,"score":0.0}],"mesh":[{"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":"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":"D008247","descriptor_name":"Lysosomes","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":true},{"descriptor_ui":"D008247","descriptor_name":"Lysosomes","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":true},{"descriptor_ui":"D008247","descriptor_name":"Lysosomes","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":true},{"descriptor_ui":"D008247","descriptor_name":"Lysosomes","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":true},{"descriptor_ui":"D008247","descriptor_name":"Lysosomes","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":true},{"descriptor_ui":"D008247","descriptor_name":"Lysosomes","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D008247","descriptor_name":"Lysosomes","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D008247","descriptor_name":"Lysosomes","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D008363","descriptor_name":"alpha-Mannosidosis","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":true},{"descriptor_ui":"D008363","descriptor_name":"alpha-Mannosidosis","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":true},{"descriptor_ui":"D008363","descriptor_name":"alpha-Mannosidosis","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D008363","descriptor_name":"alpha-Mannosidosis","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D008363","descriptor_name":"alpha-Mannosidosis","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D008363","descriptor_name":"alpha-Mannosidosis","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D008363","descriptor_name":"alpha-Mannosidosis","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D008363","descriptor_name":"alpha-Mannosidosis","qualifier_ui":"Q000503","qualifier_name":"physiopathology","is_major_topic":true},{"descriptor_ui":"D008363","descriptor_name":"alpha-Mannosidosis","qualifier_ui":"Q000503","qualifier_name":"physiopathology","is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","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":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009154","descriptor_name":"Mutation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009154","descriptor_name":"Mutation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009154","descriptor_name":"Mutation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","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":"D043323","descriptor_name":"alpha-Mannosidase","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D043323","descriptor_name":"alpha-Mannosidase","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D043323","descriptor_name":"alpha-Mannosidase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D043323","descriptor_name":"alpha-Mannosidase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D043323","descriptor_name":"alpha-Mannosidase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D043323","descriptor_name":"alpha-Mannosidase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D043323","descriptor_name":"alpha-Mannosidase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D043323","descriptor_name":"alpha-Mannosidase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D043323","descriptor_name":"alpha-Mannosidase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D043323","descriptor_name":"alpha-Mannosidase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D043323","descriptor_name":"alpha-Mannosidase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D043323","descriptor_name":"alpha-Mannosidase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D055162","descriptor_name":"Biocatalysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055162","descriptor_name":"Biocatalysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055162","descriptor_name":"Biocatalysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055162","descriptor_name":"Biocatalysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055162","descriptor_name":"Biocatalysis","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},{"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":3,"locations":[{"id":"doi:10.1021/acs.jcim.4c02229","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c02229","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:39976451","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/39976451","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},{"id":"pmh:oai:pubmedcentral.nih.gov:11898060","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/11898060","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1021/acs.jcim.4c02229","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c02229","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G7508424318","display_name":null,"funder_award_id":"847548","funder_id":"https://openalex.org/F4320338337","funder_display_name":"H2020 Marie Sk\u0142odowska-Curie Actions"},{"id":"https://openalex.org/G82670540","display_name":null,"funder_award_id":"10.55776/DOC130","funder_id":"https://openalex.org/F4320321181","funder_display_name":"Austrian Science Fund"}],"funders":[{"id":"https://openalex.org/F4320310212","display_name":"Fundaci\u00f3n Alfonso Mart\u00edn Escudero","ror":"https://ror.org/02897ye82"},{"id":"https://openalex.org/F4320321181","display_name":"Austrian Science Fund","ror":"https://ror.org/013tf3c58"},{"id":"https://openalex.org/F4320326239","display_name":"Medizinische Universit\u00e4t Graz","ror":"https://ror.org/02n0bts35"},{"id":"https://openalex.org/F4320338337","display_name":"H2020 Marie Sk\u0142odowska-Curie Actions","ror":null}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":72,"referenced_works":["https://openalex.org/W1968166922","https://openalex.org/W1971366619","https://openalex.org/W1974324509","https://openalex.org/W1977198125","https://openalex.org/W1981368803","https://openalex.org/W1981974763","https://openalex.org/W1982414593","https://openalex.org/W1987250042","https://openalex.org/W1988091937","https://openalex.org/W1999600007","https://openalex.org/W2001917313","https://openalex.org/W2014548034","https://openalex.org/W2023271753","https://openalex.org/W2029130189","https://openalex.org/W2035138836","https://openalex.org/W2035266068","https://openalex.org/W2038533471","https://openalex.org/W2047277088","https://openalex.org/W2054704030","https://openalex.org/W2057806291","https://openalex.org/W2060079863","https://openalex.org/W2061166811","https://openalex.org/W2067174909","https://openalex.org/W2074974429","https://openalex.org/W2076985575","https://openalex.org/W2086874598","https://openalex.org/W2091081051","https://openalex.org/W2092471412","https://openalex.org/W2098943363","https://openalex.org/W2103324744","https://openalex.org/W2103945336","https://openalex.org/W2106140689","https://openalex.org/W2108814917","https://openalex.org/W2109202643","https://openalex.org/W2113964973","https://openalex.org/W2117458899","https://openalex.org/W2140813866","https://openalex.org/W2141151427","https://openalex.org/W2143981217","https://openalex.org/W2146411229","https://openalex.org/W2148284063","https://openalex.org/W2149655632","https://openalex.org/W2153954238","https://openalex.org/W2155417823","https://openalex.org/W2171045920","https://openalex.org/W2275563446","https://openalex.org/W2332712348","https://openalex.org/W2567421476","https://openalex.org/W2609161612","https://openalex.org/W2735898887","https://openalex.org/W2805967323","https://openalex.org/W2810829584","https://openalex.org/W2970740744","https://openalex.org/W2989052455","https://openalex.org/W2998365692","https://openalex.org/W3005724684","https://openalex.org/W3033695897","https://openalex.org/W3046033601","https://openalex.org/W3081163622","https://openalex.org/W3118865711","https://openalex.org/W3177828909","https://openalex.org/W3191568597","https://openalex.org/W3217216416","https://openalex.org/W4206602797","https://openalex.org/W4250513280","https://openalex.org/W4293435769","https://openalex.org/W4295779282","https://openalex.org/W4385330829","https://openalex.org/W4386816016","https://openalex.org/W4387600363","https://openalex.org/W4388764454","https://openalex.org/W4400919975"],"related_works":["https://openalex.org/W2085772326","https://openalex.org/W2076478312","https://openalex.org/W2355847463","https://openalex.org/W3115919441","https://openalex.org/W2348615833","https://openalex.org/W2024198431","https://openalex.org/W3176728906","https://openalex.org/W2065433565","https://openalex.org/W4206838614","https://openalex.org/W1981242783"],"abstract_inverted_index":{"Human":[0],"lysosomal":[1],"\u03b1-mannosidase":[2],"(hLAMAN)":[3],"is":[4],"a":[5,10],"paradigmatic":[6],"example":[7],"of":[8,64],"how":[9,39,56],"few":[11],"missense":[12],"mutations":[13,47],"can":[14],"critically":[15],"affect":[16],"normal":[17],"catabolism":[18],"in":[19,51],"the":[20,24,52,57,61,65,70],"lysosome":[21],"and":[22,44,55],"cause":[23],"severe":[25],"condition":[26],"named":[27],"\u03b1-mannosidosis.":[28],"Here,":[29],"using":[30],"extensive":[31],"quantum":[32],"mechanical/molecular":[33],"mechanical":[34],"metadynamics":[35],"calculations,":[36],"we":[37],"show":[38],"four":[40],"reported":[41],"pathological":[42],"orthosteric":[43],"allosteric":[45],"single-point":[46],"alter":[48],"substrate":[49],"puckering":[50],"Michaelis":[53],"complex":[54],"D74E":[58],"mutation":[59],"doubles":[60],"energy":[62],"barrier":[63],"rate-limiting":[66],"step":[67],"compared":[68],"to":[69],"wild-type":[71],"enzyme.":[72]},"counts_by_year":[{"year":2025,"cited_by_count":1}],"updated_date":"2026-04-14T08:04:32.555800","created_date":"2025-10-10T00:00:00"}
