Nov. 21, 2012, 10:12 a.m.

New Release: FLAP 1.0

We are pleased to announce the release of FLAP 1.0 for virtual screening, pharmacophore modelling, and 3D-QSAR. FLAP is based on GRID Molecular Interaction Fields, in combination with pharmacophoric quadruplet fingerprints, and enables candidate similarity to be calculated to a template in both ligand-based and structure-based approaches.

In addition to fingerprint similarity, FLAP enables ligand-based alignments and structure-based pose prediction. Conformational searching in combination with ligand-based alignments are used by the FLAPpharm approach for pharmacophore elucidation. Alignments based on these approaches, or additionally fuzzy maximum common subgraphs, can be used in combination with statistical approaches to generate 3D-QSAR models.

For more information see the FLAP page here.