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]
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]
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]
MathMol (Mathematics and Molecules)
... is designed to serve as an introductory starting point for those interested in the field of molecular modeling (USA) [e]
MOLDA
... is a molecular-model building program (JP) [jp, e]
Molecular Networks
Inspiring Chemical Discovery. Software products (D) [e]
Quasar
... the quasi-atomistic receptor modeling software Quasar is a 5D-QSAR tool (CH) [e]
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