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Free energy landscapes of the SARS-CoV-2 spike RBD opening motion
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COMP Poster Session:
: [COMP] Division of Computers in Chemistry
What happens after ACE2 binds? Modeling the coronavirus spike conformational changes that lead to membrane fusion
SARS-CoV-2 is the coronavirus that is responsible for the COVID-19 pandemic. Each virion has ~ 25 spike glycoproteins extended from the surface; these are responsible for entry of a coronavirus into the host cell and are the primary target of immune response…
Amber force field parameters for simulations of phosphorylated amino acids
Phosphorylated amino acids are highly involved in many cell regulatory networks and many research groups are studying proteins containing these post-translational modifications both experimentally and computationally…
COMP Poster Session:
: [COMP] Division of Computers in Chemistry