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Categories: proteomics, (protein structure), structural bioinformatics, drug design - Software type(s): website - tool
Directory of computational drug design tools, containing many links to databases, chemical structure representation, molecular modeling, homology modeling, binding site prediction, docking, screening, target prediction, ligand design, binding free energy estimation etc.
Categories: proteomics, (protein structure), structural bioinformatics, biophysics, drug design - Software type(s): website - tool
SwissParam is a fully automatic server that provides topology and parameters for small organic molecules, compatible with the CHARMM all atoms force field, for use with CHARMM and GROMACS.