Frog2 -- a FRee Online druG 3D conformation generator

What you can do:
Produce 3D conformations of small drug compounds.
  • Frog2 is a web tool which allows the generation of conformation ensembles of small molecules starting from either 1D, 2D or 3D description of the compounds.
  • From a compound description in one of the SMILES, SDF or mol2 formats, the server will return an ensemble of diverse conformers generated using a two stage Monte Carlo approach in the dihedral space.
  • When starting from 1D or 2D description of compounds, Frog2 is capable to detect the sites of ambiguous stereoisomery, and thus to sample different stereoisomers.
  • Molecular Conformation
  • Pliability
  • Quantitative Structure-Activity Relationship
  • 3D conformation generator
  • 3D
  • 3D conformation
  • drug-like compounds
  • crystallographic complexes
This record last updated: 06-21-2010
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