Comparative residue interaction analysis (CoRIA): a 3D-QSAR approach to explore the binding contributions of active site residues with ligands Prasanna A. DatarSantosh A. KhedkarEvans C. Coutinho Original Paper 29 September 2006 Pages: 343 - 360
Representation of molecular structure using quantum topology with inductive logic programming in structure–activity relationships Bård ButtingsrudEinar RyengBjørn K. Alsberg Original Research Paper 13 October 2006 Pages: 361 - 373
Mechanism of enhanced conversion of 1,2,3-trichloropropane by mutant haloalkane dehalogenase revealed by molecular modeling Pavel BanášMichal OtyepkaJiří Damborský Original Paper 03 October 2006 Pages: 375 - 383
Identification of target-specific bioisosteric fragments from ligand–protein crystallographic data Elizabeth A. KennewellPeter WillettClaude Luttmann Original Paper 13 October 2006 Pages: 385 - 394
Molecular dynamics simulations on the inhibition of Cyclin-Dependent Kinases 2 and 5 in the presence of activators Bing ZhangVincent B. C. TanTong Earn Tay Original Paper 13 October 2006 Pages: 395 - 404