Combining Molecular Docking and Molecular Dynamics to Predict the Binding Modes of Flavonoid Derivatives with the Neuraminidase of the 2009 H1N1 Influenza A VirusArticle Published on 2012-04-102023-06-08 Journal: International Journal of Molecular Sciences [Category] 신종인플루엔자, [키워드] H1N1 molecular docking molecular dynamics neuraminidase [DOI] 10.3390/ijms13044496 PMC 바로가기 [Article Type] Article
A computational analysis of SARS cysteine proteinase-octapeptide substrate interaction: implication for structure and active site binding mechanismResearch Published on 2009-01-302022-10-27 Journal: BMC Bioinformatics [Category] Coronavirus, [키워드] approach binding binding mechanism carried complex computational analysis contribute cysteine drug design electrostatic enzyme Hypothesis involved MD simulation MD simulations molecular molecular docking proteinase Replication Research residue respiratory Result SARS Coronavirus severe shown turn understanding virus α-helix [DOI] 10.1186/1471-2105-10-S1-S48 PMC 바로가기 [Article Type] Research