{"doi":"10.2142/biophys.45.s144_2","title":"2P098 Development of the Method of Hybrid QM/MM Simulation including chemical bond on QM/MM boundary","abstract":null,"journal":"Seibutsu Butsuri","year":2005,"id":625419,"datarank":0.0,"base_score":0.0,"endowment":0.0,"self_citation_contribution":0.0,"citation_network_contribution":0.0,"self_endowment_contribution":0.0,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":0,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":null,"is_data_producer":false,"deposit_databanks":null,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":null,"fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":1617423,"name":"Y. Yonezawa","orcid":null,"position":1,"is_corresponding":false},{"id":44944,"name":"H. Nakamura","orcid":null,"position":2,"is_corresponding":false},{"id":1617427,"name":"T. Takada","orcid":null,"position":3,"is_corresponding":false},{"id":1617420,"name":"K. Nakata","orcid":null,"position":0,"is_corresponding":false}],"reference_count":0,"raw_metadata":{"has_enrichment":true,"resolved":true,"title":"2P098 Development of the Method of Hybrid QM/MM Simulation including chemical bond on QM/MM boundary","abstract":"This study describes the clinical and hematological characteristics of acute erythroblastopenia induced by Parvovirus B19 in patients with underlying hemoglobinopathies. We conducted a retrospective analysis of 53 patients with confirmed Parvovirus B19 infection, among whom 10 pediatric cases met the criteria for acute erythroblastopenia, defined by hemoglobin <6 g/dL and reticulocytopenia <20x109/L. Among 53 patients with confirmed Parvovirus B19 infection, 10 pediatric cases (18.9%) met the criteria for acute erythroblastopenia. All cases occurred in children with various hemoglobinopathies: sickle cell disease (3 cases), S/beta-thalassemia (1 case), hemoglobin C disease (2 cases), and hereditary spherocytosis (2 cases), while two patients had no identified hemoglobinopathy. The mean hemoglobin was 5.13 ± 1.66 g/dL, with profound reticulocytopenia. Multi-lineage involvement occurred in 20% (n=2/10) of cases. Bone marrow examination showed variable erythroblast percentages (1-47%). Recovery time ranged from 6 to 35 days, with the longest recovery observed in sickle cell patients. Parvovirus B19 causes severe erythroblastopenic crises in children with hemoglobinopathies, particularly in sickle cell disease, where the clinical impact is most pronounced.","is_dataset_classified":null,"base_score":0.0,"endowment":0.0,"datacite_reuse_total":0,"file_count":0,"downloads":0,"views":0,"has_version_chain":false,"is_dataset":false,"is_oa":false,"pmid":"42542887","pmcid":null,"openalex_id":"https://openalex.org/W2611893394","authors":[],"funders":[],"total_grants":0,"fwci":null,"citation_percentile":null,"influential_citations":0,"citation_trend":[],"oa_status":"gold","license":null,"oa_locations":[{"url":"https://www.jstage.jst.go.jp/article/biophys/45/supplement/45_KJ00004155420/_pdf","host_type":"journal"},{"url":"https://www.jstage.jst.go.jp/article/biophys/45/supplement/45_KJ00004155420/_pdf","host_type":"publisher"},{"url":"https://doi.org/10.2142/biophys.45.s144_2","host_type":"journal"}],"fields_of_study":["X-ray Diffraction in Crystallography","Adolescent","Child","Child, Preschool","Female","Humans","Infant","Male","Acute Disease","Hemoglobinopathies","Hemoglobins","Morocco","Parvoviridae Infections","Parvovirus B19, Human","Retrospective Studies","Time Factors"],"mesh_terms":["Adolescent","Child","Child, Preschool","Female","Humans","Infant","Male","Acute Disease","Hemoglobinopathies","Hemoglobins","Morocco","Parvoviridae Infections","Parvovirus B19, Human","Retrospective Studies","Time Factors"],"keywords":["QM/MM","Molecular dynamics","Computational chemistry","Chemistry","Materials science","Morocco","Parvovirus B19","acute erythroblastopenia","children","hemoglobinopathies","sickle cell disease"],"sdg_mappings":[],"linked_datasets":[],"clinical_trials":[],"software_tools":[],"database_accessions":[],"source":"live","citation_network_status":"fetched"},"created_at":"2026-08-04T06:42:55.036489Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}