Applications
Here are some exciting software applications/databases that we have been working on:
SOFTWARE
DOCK
DOCK is a computer program for molecular docking, the process of orienting and scoring small molecules in a macromolecular (usually protein) binding site.
DOCK Blaster
DOCK Blaster is a public access service for structure-based ligand discovery. DOCK Blaster aims to answer the question: What small molecules should I purchase and test for activity against my biological target for which I have a structure?
SEA
SEA relates proteins based on the set-wise chemical similarity among their ligands. It can be used to rapidly search large compound databases and to build cross-target similarity maps.
DUD
DUD stands for a Directory of Useful Decoys for benchmarking virtual screening. DUD is designed to help test docking algorithms by providing challenging decoys.
