- 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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