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Molecular Infrastructure for Modeling Full Viruses with Pythonic-Mediated Packages |SciPy 2020|
In short, we model full viruses by coupling short highly-detailed molecular dynamics simulations with lower-resolution (but faster) continuum electrostatic models. Such multiscale approach enables to model a full virus in a desktop/small cluster-level infrastructure, which are available for most researchers. Here, we propose a first interfacing ...
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