1. Scoring functions: A view from the bench

   • Jeremy R.H. Tame

   OriginalPaper Pages: 99 - 108

2. Predicting relative binding affinities of non-peptide HIV protease inhibitors with free energy perturbation calculations

   • Margaret A. McCarrick
   • Peter A. Kollman

   OriginalPaper Pages: 109 - 121

3. Major versus minor groove DNA binding of a bisarginylporphyrin hybrid molecule: A molecular mechanics investigation

   • Nohad Gresh
   • Martine Perrée-fauvet

   OriginalPaper Pages: 123 - 137

4. Fractional description of free energies of solvation

   • F. Javier Luque
   • Xavier Barril
   • Modesto Orozco

   OriginalPaper Pages: 139 - 152

5. Ab initio calculations on peptide-derived oxazoles and thiazoles: Improved molecular mechanics parameters for the AMBER* force field

   • Christopher D.J. Boden
   • Gerald Pattenden

   OriginalPaper Pages: 153 - 166

6. Comparison of two implementations of the incremental construction algorithm in flexible docking of thrombin inhibitors

   • Ronald M.A. Knegtel
   • Denis M. Bayada
   • Peter D.J. Grootenhuis

   OriginalPaper Pages: 167 - 183

7. An extensive ecdysteroid CoMFA

   • Laurence Dinan
   • Robert E. Hormann
   • Ted Fujimoto

   OriginalPaper Pages: 185 - 207