S. O'Brien

Greater than the sum of its parts: combining models for useful ADMET prediction.

S. O'Brien, M. D. de Groot, Sean E O'Brien, 2005, Journal of medicinal chemistry.

Computational tools for the analysis and visualization of multiple protein-ligand complexes.

S. O'Brien, Chris Phillips, David G. Brown, 2005, Journal of molecular graphics & modelling.

Antitumor benzothiazoles. Frontier molecular orbital analysis predicts bioactivation of 2-(4-aminophenyl)benzothiazoles to reactive intermediates by cytochrome P4501A1.

S. O'Brien, C. Laughton, M. Stevens, 2003, Organic & biomolecular chemistry.

Atoms in molecules

Paul L. A. Popelier, A. Hinchliffe, S. O'Brien, 2000 .

Quantum Molecular Similarity. 3. QTMS Descriptors

Paul L. A. Popelier, S. E. O'Brien, S. O'Brien, 2001, J. Chem. Inf. Comput. Sci..

Quantum molecular similarity. Part 2: The relation between properties in BCP space and bond length

Paul L. A. Popelier, S. O'Brien, P. Popelier, 1999 .

Quantum topological molecular similarity. Part 4. A QSAR study of cell growth inhibitory properties of substituted (E)-1-phenylbut-1-en-3-ones

Paul L. A. Popelier, S. O'Brien, P. Popelier, 2002 .