What is PLP docking?
The Piecewise Linear Pairwise Potential (PLP) scoring function in rigid docking method includes ligand-receptor interactions of hydrogen bonding (donor-acceptor), repulsions (donor-donor, acceptor-acceptor) and dispersion (involving non-polar group interactions) types. This is essentially a rigid batch docking method where unique conformers of a set of ligands can be fed in as input. This docking method gives option for ligand guided or cavity guided docking. If the co-crystallized ligand structure is available, user can choose this as reference ligand. In case there is no co-crystallized ligand, the grids will be constructed around the reference cavity, which is the active site cavity as specified by user. Each of the ligands to be docked will then be placed at these grid points and these interaction energy terms will be evaluated. The total energy, which consists of all these energy terms, will be minimized to get a corresponding PLP score. Out of all possibilities, thirty top ligand
