THINK 2.00

THINK 2.00 has now entered a beta test phase having successfully passed its alpha test.  It is expected this new release will be available next month and includes some major enhancements for Fragment Based Drug Design (FBDD) including de novo growth of fragments and combichem enumeration within a receptor site.  Fragment grown to ligand

Other changes include improved support for parallel processing and multi-thread calculations and profiling potential ligands against a wide range of protein targets.

THINK 2.00 is now available for download from  (it's 15 years since THINK 1.00 emerged!)