1. An in silico approach for screening flavonoids as P-glycoprotein inhibitors based on a Bayesian-regularized neural network

   • Yong-Hua Wang
   • Yan Li
   • Ling Yang

   OriginalPaper Pages: 137 - 147

2. Molecular design of two sterol 14α-demethylase homology models and their interactions with the azole antifungals ketoconazole and bifonazole

   • Bernd Rupp
   • Stephan Raub
   • Hans-Dieter Höltje

   OriginalPaper Pages: 149 - 163

3. Multiple ligand-binding modes in bacterial R67 dihydrofolate reductase

   • Hernán Alonso
   • Malcolm B. Gillies
   • Jill E. Gready

   OriginalPaper Pages: 165 - 187

4. A support vector machine approach to classify human cytochrome P450 3A4 inhibitors

   • Jan M. Kriegl
   • Thomas Arnhold
   • Thomas Fox

   OriginalPaper Pages: 189 - 201

5. Towards the chemometric dissection of peptide – HLA-A*0201 binding affinity: comparison of local and global QSAR models

   • Irini A. Doytchinova
   • Valerie Walshe
   • Darren R. Flower

   OriginalPaper Pages: 203 - 212