BioSolveIT GmbH - fragment based drug design

BioSolveIT has a comprehensive tool portfolio for virtual fragment based drug design and library generation:

CoLibri:		A new tool CoLibri permits the creation, management and manipulation of ligand fragments. Gigantic fragment collections can be assembled from multiple sources - including combinatorial libraries - whilst removing duplicate fragments. Library design can be further enhanced using property prediction and powerful filtering.
ReCore:		ReCore replaces user-defined central elements of known bioactive molecules to generate novel scaffolds in 3D within a blink of an eye. The software is the outcome of a joint collaboration with Hoffmann-La Roche and is now finally available to all users.
FlexNovo:		This novel structure-based design method, which is based on the established docking engine of FlexX, has just been released.
FTrees-FS:		Compounds created from CoLibri's fragment spaces can be searched in minutes using FTrees-FS, a ligand based alignment and similarity search engine.

Last modified Thursday, 02. Feb 2012 23:19 CET by WebMaster