1. Protonation-induced stereoisomerism in nicotine: Conformational studies using classical (AMBER) and ab initio (Car–Parrinello) molecular dynamics

   • Philip S. Hammond
   • Yudong Wu
   • Jeffrey D. Schmitt

   OriginalPaper Pages: 1 - 15

2. Free energy perturbation approach to the critical assessment of selective cyclooxygenase-2 inhibitors

   • Hwangseo Park
   • Sangyoub Lee

   OriginalPaper Pages: 17 - 31

3. The prediction of human oral absorption for diffusion rate-limited drugs based on heuristic method and support vector machine

   • H. X. Liu
   • R. J. Hu
   • B. T. Fan

   OriginalPaper Pages: 33 - 46

4. A very large diversity space of synthetically accessible compounds for use with drug design programs

   • Sergey Nikitin
   • Natalia Zaitseva
   • Viktor Zosimov

   OriginalPaper Pages: 47 - 63

5. Journal of Computer-Aided Molecular Design incorporating Perspectives in Drug Discovery and Design

   Instructions for authors Pages: 65 - 68