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...-Aided Molec. Design. 1994 and Miller, et al J. Comput. Aided Mol. Design. 1994). For example, identifying molecules that interact with the catalytic resid

Crippen and Kuhl ([[Kuhl et al. J. Comput. Chem. 1984]]). site ([[DesJarlais et al. J. Comput-Aided Molec. Design. 1994]]

...n of HIV-1 protease inhibitors. J. Comput-Aided Molec. Design. 8: 231-242, 1994. Ewing, T.J.A. and Kuntz, I.D., Critical evaluation of search algorithms for automated m

...Comp. Chem. 1992). Program DOCK also minimizes energy based scores (Meng, et al. Proteins. 1993). ...complex or from a database of compounds, such as the ZINC database (Irwin, et. al. J. Chem. Inf. Model. 2005). The primary consideration in the design of

compounds, such as the [[ZINC]] database ([[Irwin, et. al. J. Chem. Inf. Model. 2005]]). orient the ligand ([[DesJarlais et al. J. Comput-Aided Molec. Design. 1994]]).