BioSolveIT ReCore 1.8.16 (1 dvd)

File Size: 811.85 MB

BioSolveIT ReCore 1.8.16 (1 dvd)

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.

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