More than 20% of the workload on the world's 500 fastest supercomputers is spent simulating how atoms and molecules move—with applications ranging from material design to identifying drug interactions ...

Using their T cell receptor (TCR), T cells orchestrate cellular immunity by recognizing antigenic peptides bound and presented by major histocompatibility complex (MHC) proteins. Cross-reactivity is a ...

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Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Computational studies play an increasingly important role in chemistry and biophysics, ...