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  • Small Molecule Dihedrals Parametrization
  • Gaussian 09 and Antechamber12
  • Organic solvent boxes
  • Parametrize new ligands for AMBER and CHARMM
  • Gaussian09 bug fix
  • Building AMBER 11 and AmberTools 1.5 on MacOS 10.6.8 (Snow Leopard): A command list
  • Instructions to screen huge chemical collections with rDock
  • Basic instructions to screen huge chemical collections with rDock
  • Define contacts and binding site between a given ligand (x-ray or docking) and PDB file
  • Hands-on tutorial & exercises of Gaussian
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