Head, Richard D.; Smythe, Mark L.; Oprea, Tudor I.; Waller, Chris L.; Green, Stuart M.; Marshall, Garland R VALIDATE: A New Method for the Receptor-Based Prediction of Binding Affinities of Novel Ligands.. J. Am. Chem. Soc., p.3959-3969, 1996.

Oprea, Tudor I.; Garcia, Angel E. Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors.. J. Comput.-Aided Mol. Des., p.186-200, 1996.

Oprea, Tudor Ionel; Kurunczi, Ludovic; Timofei, Simona QSAR studies of disperse azo dyes. Towards the negation of the pharmacophore theory of dye-fiber interaction?. Dyes Pigm., p.41-64, 1997.

Waller, Chris L.; Oprea, Tudor I.; Chae, Kun; Park, Hee-Kyoung; Korach, Kenneth S.; Laws, Susan C.; Wiese, Thomas E.; Kelce, William R.; Gray, L. Earl Jr Ligand-Based Identification of Environmental Estrogens.. Chem. Res. Toxicol., p.1240-1248, 1996.

Tung, C.-S.; Oprea, T. I.; Hummer, G.; Garcia, A. E. Three-dimensional model of a selective theophylline-binding RNA molecule.. J. Mol. Recognit., p.275-286, 1996.

Sulea, Traian; Oprea, Tudor Ionel; Muresan, Sorel; Chan, Shek Ling A different method for steric field evaluation in CoMFA improves model robustness.. J. Chem. Inf. Comput. Sci., p.1162-1170, 1997.

Oprea, Tudor I.; Marshall, Garland R Receptor-based prediction of binding affinities.. Perspect. Drug Discovery Des., p.35-61, 1998.

Oprea, Tudor I. Virtual Screening in Lead Discovery: A Viewpoint. Molecules, p.51-62, 2002.

Sulea, Traian; Kurunczi, Ludovic; Oprea, Tudor I.; Simon, Zeno. MTD-ADJ: a multiconformational minimal topologic difference for determining bioactive conformers using adjusted biological activities.. J. Comput.-Aided Mol. Des., p.133-146, 1998.

Oprea, Tudor I.; Hummer, Gerhard; Garcia, Angel E. Identification of a functional water channel in cytochrome P450 enzymes.. Proc. Natl. Acad. Sci. U. S. A., p.2133-2138, 1997.

Teague, Simon J.; Davis, Andrew M.; Leeson, Paul D.; Oprea, Tudor I. The design of leadlike combinatorial libraries.. Angew. Chem., Int. Ed., p.3743-3748, 1999.

Oprea, Tudor I. Property distribution of drug-related chemical databases.. J. Comput.-Aided Mol. Des., p.251-264, 2000.

Oprea, T. I.; Gottfries, J. Toward minimalistic modeling of oral drug absorption.. Journal of Molecular Graphics & Modelling, p.261-274, 1999.

Oprea, T. I.; Gottfries, J.; Sherbukhin, V.; Svensson, P.; Kuhler, T. C. Chemical information management in drug discovery: optimizing the computational and combinatorial chemistry interfaces.. J. Mol. Graphics Modell., p.512-524, 2000.

Oprea, Tudor I.; Gottfries, Johan. Chemography: The Art of Navigating in Chemical Space.. Journal of Combinatorial Chemistry, p.157-166, 2001.

Olsson, Thomas; Oprea, Tudor I. Cheminformatics: a tool for decision-makers in drug discovery.. Curr. Opin. Drug Discovery Dev., p.308-313, 2001.

Oprea, Tudor I.; Davis, Andrew M.; Teague, Simon J.; Leeson, Paul D. Is There a Difference between Leads and Drugs? A Historical Perspective.. Journal of Chemical Information and Computer Sciences, p.1308-1315, 2001.

Nilsson, Jonas W.; Thorstensson, Fredrik; Kvarnstroem, Ingemar; Oprea, Tudor I.; Samuelsson, Bertil; Nilsson, Ingemar. Solid-phase synthesis of libraries generated from a 4-phenyl-2-carboxy-piperazine scaffold.. Journal of Combinatorial Chemistry, p.546-553, 2001.

Oprea, Tudor I.; Kurunczi, Ludovic; Olah, Marius; Simon, Zeno MTD-PLS: a PLS-based variant of the MTD method. A 3D-QSAR analysis of receptor affinities for a series of halogenated dibenzoxin and biphenyl derivatives.. SAR QSAR Environ. Res., p.75-92, 2001.

Oprea, Tudor I. Rapid estimation of hydrophobicity for virtual combinatorial library analysis.. SAR and QSAR in Environmental Research, p.129-141, 2001.

Mracec, Maria; Oprea, Tudor I.; Mracec, Mircea Correlation between experimental electron affinities for aromatic derivatives and the values calculated with semiempirical MO methods.. Revue Roumaine de Chimie, p.949-954, 2000.

Bogdan Dragnea and Stephen R. Leone Advances in Sub-micron Infrared Vibrational Band Chemical Imaging. International Reviews in Physical Chemistry, p.59-92, 2001.