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drug-discovery

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AtharvaTilewale / GRAVITy

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GRAVITy is an automated pipeline that streamlines molecular dynamics (MD) simulations. It allows users to simulate protein efficiently. It automates tasks like protein preparation, running simulations with GROMACS, and error handling, saving time and ensuring smooth execution.

bioinformatics simulation molecular-dynamics computational-biology bioinformatics-pipeline molecular-dynamics-simulation drug-discovery drug-repurposing md-simulations bioinformatics-tool
  • Updated Dec 25, 2024
  • Shell

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