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Recent blog posts
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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