Virtual screening with AutoDock Vina and the common pharmacophore engine of a low diversity library of fragments and hits against the three allosteric sites of HIV integrase: participation in the SAMPL4 protein-ligand binding challenge.
Alexander L. PerrymanDaniel N. SantiagoStefano ForliDiogo Santos-MartinsArthur J. OlsonPublished in: J. Comput. Aided Mol. Des. (2014)