Molegro has updated Molegro Virtual Docker, its integrated platform for computation drug design available for Windows, Linux, and Mac OS X. Molegro Virtual Docker offers high-quality protein-ligand docking based on novel optimisation techniques combined with a user interface experience focusing on usability and productivity.
New features in version 4.0 include an implementation of the PLANTS scoring function (available in both a grid and a non-grid version) and Iterated Simplex - a new docking search algorithm with an adaptive sampling strategy based on the Ant Colony Optimization algorithm. The new version also introduces Molegro Virtual Grid - a new infrastructure for distributing docking runs on multiple computers and a built-in ray tracer making it possible to create publication quality graphics.
