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Computational Chemistry and Biology Core Facility

Equipment and Software

  • Dedicated dual quad core server for complex calculations and fault-proof mirrored data storage
  • Two additional dual quad core workstations for locally running specialized and computationally expensive simulations
  • Four quad core workstations available for use by trained outside personnel to submit simulations to the central server and analyze the resulting output.
  • All workstations have access to the full Accelrys Discovery Studio and Tripos Sybyl-X software suites, as well as a wide variety of both commercial and open source scientific software, including ChemBioDraw, Chem3D, Wavefunction Spartan, Hypercube HyperChem, Molegro Virtual Docker, Ligand Scout, Molsoft ICM-Pro, Molecular Discovery VolSurf+, Autodock, AMBER 12, Vega ZZ, HEX Protein Docking, and CBD Field Align.