1. Computational methods for the structural alignment of molecules

   • Christian Lemmen
   • Thomas Lengauer

   Legacy Pages: 215 - 232

2. The effect of isodensity surface sampling on ESP derived charges and the effect of adding bondcenters on DMA derived charges

   • G. Schaftenaar
   • J.H. Noordik

   OriginalPaper Pages: 233 - 242

3. Ab initio study on tautomerism of 2-thiouracil in the gas phase and in solution

   • Hülya Yekeler

   OriginalPaper Pages: 243 - 250

4. Property distribution of drug-related chemical databases*

   • Tudor I. Oprea

   OriginalPaper Pages: 251 - 264

5. A CoMFA analysis with conformational propensity: An attempt to analyze the SAR of a set of molecules with different conformational flexibility using a 3D-QSAR method

   • Keigo Gohda
   • Ichiro Mori
   • Takeshi Kikuchi

   OriginalPaper Pages: 265 - 275

6. Chemometric rationalization of the structural and physicochemical basis for selective cyclooxygenase-2 inhibition: Toward more specific ligands

   • Enrica Filipponi
   • Violetta Cecchetti
   • Arnaldo Fravolini

   OriginalPaper Pages: 277 - 291

7. Global 3D-QSAR methods: MS-WHIM and autocorrelation

   • Emanuela Gancia
   • Gianpaolo Bravi
   • Andrea Zaliani

   OriginalPaper Pages: 293 - 306