Binding mode prediction.For a protein with known three-dimensional structure and a small ligand molecule, FlexX accurately predicts the geometry of the protein-ligand complex within a few seconds. The intuitive GUI permits the set up of docking runs within a single minute and provides you with instantaneous visual feedback. FlexX sets new records in vHTS. You can screen a library of ~1 000 000 compounds in about 8 hours on a 30-node cluster. The new Screen-module also allows you to filter out false positives on-the-fly. If you are screening compounds from a combinatorial library, you can take advantage of a novel pharmacophore-based combinatorial docking [3] to further gain significant speed-up and enrichment.

Download Setup:

http://rapidshare.com/files/192763983/BioSolveIT.FlexS.v1.30.1.NTpro.CW.rar

Password:

NTpro@CW