Biophysics
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Computational analysis of dynamic allostery and control in the SARS-CoV-2 main protease
This article has 2 authors:Reviewed by ScreenIT
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High Throughput Designing and Mutational Mapping of RBD-ACE2 Interface Guide Non-Conventional Therapeutic Strategies for COVID-19
This article has 4 authors:Reviewed by ScreenIT
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Computational Study of the Ion and Water Permeation and Transport Mechanisms of the SARS-CoV-2 Pentameric E Protein Channel
This article has 9 authors:Reviewed by ScreenIT
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Static all-atom energetic mappings of the SARS-Cov-2 spike protein and dynamic stability analysis of “Up” versus “Down” protomer states
This article has 4 authors:Reviewed by ScreenIT
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Local computational methods to improve the interpretability and analysis of cryo-EM maps
This article has 9 authors:Reviewed by ScreenIT
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ACE2 coding variants in different populations and their potential impact on SARS-CoV-2 binding affinity
This article has 4 authors:Reviewed by ScreenIT
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Coarse-grained molecular simulations of the binding of the SARS-CoV-2 spike protein RBD to the ACE2 receptor
This article has 3 authors:Reviewed by ScreenIT
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Development and simulation of fully glycosylated molecular models of ACE2-Fc fusion proteins and their interaction with the SARS-CoV-2 spike protein binding domain
This article has 7 authors:Reviewed by ScreenIT
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Computational analysis on the ACE2-derived peptides for neutralizing the ACE2 binding to the spike protein of SARS-CoV-2
This article has 5 authors:Reviewed by ScreenIT
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Catalytic cleavage of HEAT and subsequent covalent binding of the tetralone moiety by the SARS-CoV-2 main protease
This article has 84 authors:Reviewed by ScreenIT