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Impact of New Variants on SARS-CoV-2 Infectivity and Neutralization: A Molecular Assessment of the Alterations in the Spike-Host Protein Interactions

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NIAID Data Ecosystem2026-03-13 收录
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https://zenodo.org/record/6026640
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MD simulation trajectories and structural models from the work which first appeared on bioRxiv (https://doi.org/10.1101/2021.01.10.426143), later ssrn (http://dx.doi.org/10.2139/ssrn.3907841), and finally accepted for publication by Iscience. File Name: Run1_WT_RBD_ACE2.zip Description: A compressed (zipped) folder contains three independent MD trajectories of WT RBD-ACE2 complex. File Name: Run2_N501Y_RBD_ACE2.zip Description: A compressed folder contains three independent MD trajectories of Alpha RBD-ACE2 complex. File Name: Run3_Beta_RBD_ACE2.zip Description: A compressed folder contains three independent MD trajectories of Beta RBD-ACE2 complex. File Name: Run4_Delta_RBD_ACE2.zip Description: A compressed folder contains three independent MD trajectories of Delta RBD-ACE2 complex File Name:  Run5_UK2_E484K_N501Y_ACE2.zip Description: A compressed folder contains three independent MD trajectories of UK2 RBD-ACE2 complex File Name: Structural_model_PDBs.zip Description: A compressed folder contains eight pdb files of those structural models plotted in Figs 1, 3, 5, 6, 7 and S1.
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2022-02-10
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