1. Electrostatic evaluation of isosteric analogues

   • Roger Sayle
   • Anthony Nicholls

   Original Paper 15 July 2006 Pages: 191 - 208

2. Hierarchical clustering analysis of flexible GBR 12909 dialkyl piperazine and piperidine analogs

   • Kathleen M. Gilbert
   • Carol A. Venanzi

   Original paper 20 July 2006 Pages: 209 - 225

3. BRUTUS: Optimization of a grid-based similarity function for rigid-body molecular superposition. II. Description and characterization

   • Toni Rönkkö
   • Anu J. Tervo
   • Antti Poso

   Original Paper 20 July 2006 Pages: 227 - 236

4. A Virtual Active Compound Produced from the Negative Image of a Ligand-binding Pocket, and its Application to in-silico Drug Screening

   • Yoshifumi Fukunishi
   • Satoru Kubota
   • Haruki Nakamura

   Original Paper 21 June 2006 Pages: 237 - 248

5. ADAAPT: Amgen's data access, analysis, and prediction tools

   • Sung Jin Cho
   • Yaxiong Sun
   • William Harte

   Original Paper 21 June 2006 Pages: 249 - 261