July 8, 2016, 12:52 p.m.
New Release: FLAP 2.2.0
We are proud to announce the release of FLAP 2.2.0. Highlights include a new simple automatic WaterFLAP prediction protocol and a free energy of binding score for each water, making it quick and easy to highlight structural and displaceable waters to aid design, and FLAPdock has been updated to use the free energy of binding score when using the docking with optional waters workflow. In addition there are a large number of enhancements covering workflows from database building through to 3D-QSAR modelling, and many new 3D visualisation features. Database import, VolSurf+ descriptor calculation, and conformer generation have all been parallelised to take advantage of multi-threaded CPU. Read more about FLAP 2.2.0 here.