High-resolution mining of the SARS-CoV-2 main protease conformational space: supercomputer-driven unsupervised adaptive sampling †Chemistry Published on 2021-02-022022-10-31 Journal: Chemical Science [Category] COVID-19, [키워드] adaptive appear approach C-terminal Clustering analysis conformational Critical distal Drug discovery exhibit Focusing GPU High-resolution highlight histidine inactive less M pro marker mimicking modulating molecular molecular interaction monomer observé performed physiological plasticity producing protease reducing residue residues Result selective shown stability statistical the SARS-CoV-2 trajectory Volume was performed water molecule [DOI] 10.1039/d1sc00145k PMC 바로가기 [Article Type] Chemistry
A deep learning-based COVID-19 automatic diagnostic framework using chest X-ray imagesResearch article Published on 2021-01-012022-10-05 Journal: Biocybernetics and Biomedical Engineering [Category] 진단, 치료기술, [키워드] Accuracy affecting Algorithm automatic detection average Bacterial Belgium binary classification Canada Chest X-ray image Chest X-ray images chest X-ray radiographs China coronavirus country COVID COVID-19 deep learning detect diagnostic diagnostics disease detection effective facilitate generate Germany GPU Health healthy hospital Image processing India Iran Italy lung novel coronavirus disease pandemic Patient Pneumonia positive radiologist reduce robust screened Spain Spread Taiwan USA Viral pneumonia [DOI] 10.1016/j.bbe.2021.01.002 [Article Type] Research article
Assessment of proton-coupled conformational dynamics of SARS and MERS coronavirus papain-like proteases: Implication for designing broad-spectrum antiviral inhibitorsARTICLES Published on 2020-09-212022-10-30 Journal: The Journal of Chemical Physics [Category] COVID-19, SARS, [키워드] acute respiratory syndrome antiviral drug antiviral inhibitor assessment assist calculated catalytic caused computation conformational coronavirus CoV cysteine cysteine protease drug target Evidence flexible GPU Hypothesis inhibitor lack MERS coronavirus MERS-CoV Middle East modulate molecular Outbreaks pandemic Papain-like protease physiological plasticity PLPro Prevent protonation state residue respiratory syndrome coronavirus SARS-CoV SARS-CoV-2 Simulation starting point structure-based design Support supported viral life cycle [DOI] 10.1063/5.0020458 PMC 바로가기 [Article Type] ARTICLES