Virtual Target Screening: Validation Using Kinase Inhibitors. - Daniel N. Santiago; Yuri Pevzner; Ashley A. Durand; Minh Phuong Tran; Rachel R. Scheerer; Kenyon G. Daniel; Shen-Shu Sung; H. Lee Woodcock III; Wayne C. Guida; Wesley H. Brooks (J. Chem. Inf. Model., 2012)

Virtual screening of integrase inhibitors by large scale binding free energy calculations: the SAMPL4 challenge. - Emilio Gallicchio; Nan-Jie Deng; Peng He; Lauren Wickstrom; Alexander L. Perryman; Daniel N. Santiago; Stefano Forli; Arthur J. Olson; Ronald M. Levy (J. Comput. Aided Mol. Des., 2014)

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. Perryman; Daniel N. Santiago; Stefano Forli; Diogo Santos-Martins; Arthur J. Olson (J. Comput. Aided Mol. Des., 2014)