I am Roshan Shrestha, a PhD researcher at MMSB, CNRS, Lyon. My current research focuses on understanding nanoparticle drug delivery mechanisms using molecular dynamics simulations, particularly lipid-nanoparticle interactions and TM-domain protein-nanoparticle interactions in the lipid bilayer.
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An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
Home Page: http://getyank.org
License: MIT License