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Topgfx Free 3D Models » 3D Software » BioSolveIT ReCore v1.8.16 for Windows/Linux iSO-SPYRAL
BioSolveIT ReCore v1.8.16 for Windows/Linux iSO-SPYRAL
BioSolveIT ReCore v1.8.16 for Windows/Linux iSO-SPYRAL | 1.81GB
ReCore is a computer program for scaffold hopping and core replacement: You have a 3D structure of a ligand. ReCore can replace an unwanted part (defined by bond cuts) so that the new part respects the dangling bonds as good as possible. Additionally, user-defined "pharmacophore features" can be employed to direct the search.
A typical workflow is a two stage process, of which Stage A needs to be performed only once:
Stage A: Shredding of libraries and creation of an index for fast search
Stage B: Searching the fragment library using a query and the database exploiting the index.
Advantages of using ReCore
Replace central elements in known bioactive molecules
Generate new scaffolds in 3D in the blink of an eye
Impose pharmacophore constraints interactively
Custom design your own fragment database for scaffold replacement
Testimonials
ReCore is much better then similar types of software' Roberto Forlani, NiKem Research Srl, Italy.
"In my opinion, software of this sort belongs on the desktop of any chemist designing bioactive molecules."
"ReCore works well! It has a user-friendly interface, and the constraints are easy to set up."
"The diversity of solutions from ReCore is much better than similar types of software."
Scientific background
ReCore replaces a given core: Given a pre-defined central unit of a molecule (the core), fragments are searched in a 3D database for the best possible replacement
10X Speed Direct Download BioSolveIT ReCore v1.8.16 for Windows/Linux iSO-SPYRAL
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