CORINA
Fast and Efficient Generation of High-Quality 3D Molecular Models (D) [E]
GOLPE
Generating Optimal Linear PLS Estimations is the state of the art chemometric toolbox for 3D QSAR (USA) [E]
GRID
... is a computational procedure for determining energetically favourable binding sites on molecules of known structure (USA) [E]
hint!
... is a novel empirical molecular modeling system with new methods for de novo drug design and protein or nucleic acid structural analysis (CA, JP) [E]
Chembrain XTE
Worldwide unique chemical database for three-dimensional molecular structures with integrated artificial intelligence capable of learning applicable in the prediction of any molecular properties as well as for use as laboratory notebook (CH) [D, E]
GROMACS
... is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles (USA) [E]
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