1. Comparative residue interaction analysis (CoRIA): a 3D-QSAR approach to explore the binding contributions of active site residues with ligands

   • Prasanna A. Datar
   • Santosh A. Khedkar
   • Evans C. Coutinho

   Original Paper 29 September 2006 Pages: 343 - 360

2. Representation of molecular structure using quantum topology with inductive logic programming in structure–activity relationships

   • Bård Buttingsrud
   • Einar Ryeng
   • Bjørn K. Alsberg

   Original Research Paper 13 October 2006 Pages: 361 - 373

   

3. Mechanism of enhanced conversion of 1,2,3-trichloropropane by mutant haloalkane dehalogenase revealed by molecular modeling

   • Pavel Banáš
   • Michal Otyepka
   • Jiří Damborský

   Original Paper 03 October 2006 Pages: 375 - 383

   

4. Identification of target-specific bioisosteric fragments from ligand–protein crystallographic data

   • Elizabeth A. Kennewell
   • Peter Willett
   • Claude Luttmann

   Original Paper 13 October 2006 Pages: 385 - 394

   

5. Molecular dynamics simulations on the inhibition of Cyclin-Dependent Kinases 2 and 5 in the presence of activators

   • Bing Zhang
   • Vincent B. C. Tan
   • Tong Earn Tay

   Original Paper 13 October 2006 Pages: 395 - 404