1. Development and validation of a modular, extensible docking program: DOCK 5

   • Demetri T. Moustakas
   • P. Therese Lang
   • Robert C. Rizzo

   Original paper 06 December 2006 Pages: 601 - 619

   

2. Molecular modeling and bioinformatical analysis of the antibacterial target enzyme MurA from a drug design perspective

   • Christian D. Klein
   • Anke Bachelier

   ORIGINAL PAPER 24 November 2006 Pages: 621 - 628

   

3. Conformational specificity of non-canonical base pairs and higher order structures in nucleic acids: crystal structure database analysis

   • Shayantani Mukherjee
   • Manju Bansal
   • Dhananjay Bhattacharyya

   Original Paper 24 November 2006 Pages: 629 - 645

   

4. PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results

   • Steven L. Dixon
   • Alexander M. Smondyrev
   • Richard A. Friesner

   Original Paper 24 November 2006 Pages: 647 - 671

   

5. Molecular dynamics simulation of the human adenosine A₃ receptor: agonist induced conformational changes of Trp243

   • Christian Hallmen
   • Michael Wiese

   Original Paper 24 November 2006 Pages: 673 - 684

   

6. Bond-based global and local (bond, group and bond-type) quadratic indices and their applications to computer-aided molecular design. 1. QSPR studies of diverse sets of organic chemicals

   • Yovani Marrero-Ponce
   • Francisco Torrens
   • Richard Rotondo

   Original paper 25 November 2006 Pages: 685 - 701