Predicting relative binding affinities of non-peptide HIV protease inhibitors with free energy perturbation calculations Margaret A. McCarrickPeter A. Kollman OriginalPaper Pages: 109 - 121
Major versus minor groove DNA binding of a bisarginylporphyrin hybrid molecule: A molecular mechanics investigation Nohad GreshMartine Perrée-fauvet OriginalPaper Pages: 123 - 137
Fractional description of free energies of solvation F. Javier LuqueXavier BarrilModesto Orozco OriginalPaper Pages: 139 - 152
Ab initio calculations on peptide-derived oxazoles and thiazoles: Improved molecular mechanics parameters for the AMBER* force field Christopher D.J. BodenGerald Pattenden OriginalPaper Pages: 153 - 166
Comparison of two implementations of the incremental construction algorithm in flexible docking of thrombin inhibitors Ronald M.A. KnegtelDenis M. BayadaPeter D.J. Grootenhuis OriginalPaper Pages: 167 - 183
An extensive ecdysteroid CoMFA Laurence DinanRobert E. HormannTed Fujimoto OriginalPaper Pages: 185 - 207