Binary package “autodock-vina” in ubuntu cosmic

docking of small molecules to proteins

 AutoDock Vina is a program to support drug discovery, molecular
 docking and virtual screening of compound libraries. It offers
 multi-core capability, high performance and enhanced accuracy
 and ease of use.
 .
 The same institute also developed autodock, which is widely used.
 .
 O. Trott, A. J. Olson, AutoDock Vina: improving the speed and accuracy
 of docking with a new scoring function, efficient optimization and
 multithreading, Journal of Computational Chemistry 31 (2010) 455-461