Aptamer-Based Recognition of Breast Tumor Cells: A New Era for Breast Cancer DiagnosisArticle Published on 2024-01-102024-09-05 Journal: International Journal of Molecular Sciences [Category] update2024, [키워드] Aptamers Breast cancer computational modeling Diagnosis [DOI] 10.3390/ijms25020840 PMC 바로가기 [Article Type] Article
Explainable Machine Learning to Predict Anchored Reentry Substrate Created by Persistent Atrial Fibrillation Ablation in Computational ModelsArrhythmia and Electrophysiology Published on 2023-08-102024-09-05 Journal: Journal of the American Heart Association [Category] update2024, [키워드] Ablation Atrial fibrillation Basic Science Research computational modeling machine learning Magnetic resonance imaging (MRI) recurrent arrhythmia [DOI] 10.1161/JAHA.123.030500 PMC 바로가기 [Article Type] Arrhythmia and Electrophysiology
HPC + in the medical field: Overview and current examplesResearch Article Published on 2023-01-052024-09-05 Journal: Technol Health Care [Category] update2024, [키워드] AI (artificial intelligence) computational modeling Computer simulation Data analysis Diagnosis Medicine Therapeutics [DOI] 10.3233/THC-229015 PMC 바로가기 [Article Type] Research Article
Theoretical Explanation for the Rarity of Antibody-Dependent Enhancement of Infection (ADE) in COVID-19Article Published on 2022-09-262022-11-15 Journal: International Journal of Molecular Sciences [Category] SARS, 진단, [키워드] ADE antibody Antibody-dependent enhancement cell cultures Complete computational modeling computational modeling. Concentration condition COVID-19 determine effective enhancement explain explanation Human Infection lack Macrophage mathematical Occurrence Probability proportion SARS-CoV SARS-CoV-2 SARS-COV-2 infection seroconversion time Spread the SARS-CoV-2 virus vaccination Viral load [DOI] 10.3390/ijms231911364 PMC 바로가기
In Silico Study towards Repositioning of FDA-Approved Drug Candidates for Anticoronaviral Therapy: Molecular Docking, Molecular Dynamics and Binding Free Energy CalculationsArticle Published on 2022-09-142022-11-15 Journal: Molecules [Category] SARS, 신약개발, 치료제, [키워드] AAK1 addition Anti-COVID-19 Anti-SARS-CoV-2 Activity applied binding binding free energy binding pattern calculation candidate Combination complexes computational modeling digoxin drug drug repositioning drugs Dynamics energy Enzymes evaluated exhibited FDA-approved drug Free greater in silico inhibitor inhibitors methodology molecular molecular docking molecular dynamic simulations MPro niclosamide ouabain PLPro Proscillaridin protease Protein provide RdRP repositioning RNA-dependent RNA polymerase SARS-CoV-2 SARS-CoV-2 main protease screened suggested target targets tested to define [DOI] 10.3390/molecules27185988 PMC 바로가기
Interval type-2 fuzzy computational model for real time Kalman filtering and forecasting of the dynamic spreading behavior of novel Coronavirus 2019Article Published on 2022-05-012023-07-08 Journal: ISA transactions [Category] COVID19(2023년), [키워드] computational modeling COVID-19 Epidemiological model Interval type-2 fuzzy systems Kalman filtering. [DOI] 10.1016/j.isatra.2022.03.031 PMC 바로가기
Mutations of Omicron Variant at the Interface of the Receptor Domain Motif and Human Angiotensin-Converting Enzyme-2수용체 도메인 모티프와 인간 안지오텐신 전환 효소-2의 인터페이스에서 오미크론 변이체의 돌연변이Article Published on 2022-03-062022-09-10 Journal: International Journal of Molecular Sciences [Category] MERS, SARS, 변종, [키워드] AABP unit ACE2 Amino acid Analysis angiotensin angiotensin-converting enzyme-2 Anxiety atomic benefit binding bonding calculated caused changes in complexity in shape and volume components computational modeling contribute evade explain facilitate Human human Angiotensin-converting enzyme immune defense in-depth analysis indicate Interaction interface mitigate Mutation observation omicron Omicron variant partial charge positive RBM receptor binding motif reveal SARS-CoV-2 shape significant changes in significant increase Spike protein Spread the spike protein Vaccines variant variant of SARS-CoV-2 virial transmission [DOI] 10.3390/ijms23052870 PMC 바로가기 [Article Type] Article
Delta Variant with P681R Critical Mutation Revealed by Ultra-Large Atomic-Scale Ab Initio Simulation: Implications for the Fundamentals of Biomolecular Interactions초대형 원자 규모 Ab 초기 시뮬레이션으로 밝혀진 P681R 치명적 돌연변이가 있는 델타 변이체: 생체 분자 상호 작용의 기본 사항에 대한 의미Article Published on 2022-02-242022-09-11 Journal: Viruses [Category] COVID19(2023년), SARS, 변종, [키워드] Affect Amino acid amino acids amino-acid–amino-acid bond pair atomic resolution computational modeling D614G D614G mutation damage Delta delta variant domain dominant Efficiency explain faster flexibility furin furin cleavage site human cell human cells infection rate interacting residue interacting residues Interaction interactions interatomic interaction machine learning Mutation mutations offer P681R protocol reduce reduced reported responsible Revealed SARS-CoV-2 Spike protein spike-protein Spread the spike protein unique virus wild type [DOI] 10.3390/v14030465 PMC 바로가기 [Article Type] Article
A hybrid approach unveils drug repurposing candidates targeting an Alzheimer pathophysiology mechanismResearch article Published on 2022-01-262022-10-05 Journal: Patterns [Category] 신약개발, [키워드] Alzheimer disease approach candidate Candidates clinical study Compound computational modeling Data integration demonstrated drug Drug repurposing Genes HDAC6 identify in vitro screening Knowledge graph mechanism pathophysiological mechanism pathophysiology Phosphorylation resulting screened target tau phosphorylation upstream variety [DOI] 10.1016/j.patter.2021.100433 [Article Type] Research article
Modeling Early Phases of COVID-19 Pandemic in Northern Italy and Its Implication for Outbreak DiffusionPublic Health Published on 2021-12-162022-10-31 Journal: Frontiers in Public Health [Category] COVID-19, MERS, SARS, [키워드] analyzed appear applied brain modeling computational modeling COVID-19 COVID-19 pandemic DCM—dynamic causal modeling diffusion effective Europe Factor healthcare hidden highlighting identify Infection Italian regions Italy mechanism modeling outbreak pandemic phase predict Predictive Predictive modeling response Spread the SARS-CoV-2 Validity [DOI] 10.3389/fpubh.2021.724362 PMC 바로가기 [Article Type] Public Health