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Journal of Computer-Aided Molecular Design|January 1, 1997
Optimizing doped libraries by using genetic algorithmsD Tomandl, A Schober, A SchwienhorstJournal of Computer-Aided Molecular Design|January 1, 1997
Prediction of the three-dimensional structure of the human Fas receptor by comparative molecular modelingJ Bajorath, A AruffoJournal of Computer-Aided Molecular Design|January 1, 1997
A hybrid approach for addressing ring flexibility in 3D database searchingJ SadowskiJournal of Computer-Aided Molecular Design|January 1, 1997
MM3(96) parameterization for camptothecin analogs: an ab initio and molecular mechanics studyS W Carrigan, J H Lii, J P BowenJournal of Computer-Aided Molecular Design|December 7, 2007
Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery moleculesTimon Sebastian Schroeter, Anton Schwaighofer, Sebastian Mika, et al.Journal of Computer-Aided Molecular Design|December 7, 2007
An eleven amino acid residue deletion expands the substrate specificity of acetyl xylan esterase II (AXE II) from Penicillium purpurogenumMarcela Colombres, José A Garate, Carlos F Lagos, et al.Journal of Computer-Aided Molecular Design|December 8, 2007
The concept of template-based de novo design from drug-derived molecular fragments and its application to TAR RNAAndreas Schüller, Marcel Suhartono, Uli Fechner, et al.Journal of Computer-Aided Molecular Design|December 1, 1991
HINT: a new method of empirical hydrophobic field calculation for CoMFAG E Kellogg, S F Semus, D J AbrahamJournal of Computer-Aided Molecular Design|December 1, 1991
Reaction mechanisms in peptide synthesis. Part 2. Tautomerism of the peptide bondJ Ciarkowski, F M Chen, N L BenoitonJournal of Computer-Aided Molecular Design|December 1, 1991
A machine learning approach to computer-aided molecular designG Bolis, L Di Pace, F FabrociniPageof 265