Pérez-Sánchez Lab · UCAM

BIO-HPCWorkbench

HPC-driven drug discovery, from molecule to clinic.

01

Prepare. Clean the structure, protonate it, pick the pocket.

02

Screen. Run MetaScreener on Leftraru or Picasso.

03

Simulate. Push the hits through GROMACS and get the analysis back.

Structural Bioinformatics and High Performance Computing Research Group · bio-hpc.eu

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