Computational models for the shuttling motion of the macrocycle in rotaxane-based molecular switches Pipsa HirvaMatti HaukkaTapani A. Pakkanen Original Paper 05 July 2008 Pages: 879 - 886
Ligation of Aza bases to the AgF2 molecule: a theoretical study Wojciech Grochala Original Paper 05 July 2008 Pages: 887 - 890
Homology modeling and dynamics of the extracellular domain of rat and human neuronal nicotinic acetylcholine receptor subtypes α4β2 and α7 William H. BissonGerrit WesteraLeonardo Scapozza Original Paper 08 July 2008 Pages: 891 - 899
Cellular interaction through LewisX cluster: theoretical studies Yun LuoFlorent BarbaultBo Tao Fan Original Paper 11 July 2008 Pages: 901 - 910
Pharmacophore mapping of a series of pyrrolopyrimidines, indolopyrimidines and their congeners as multidrug-resistance-associated protein (MRP1) modulators Nilesh R. TawariSeema BagMariam S. Degani Original Paper 11 July 2008 Pages: 911 - 921
CoMFA based de novo design of Pyrrolidine Carboxamides as Inhibitors of Enoyl Acyl Carrier Protein Reductase from Mycobacterium tuberculosis Ashutosh KumarMohammad Imran Siddiqi Original Paper 15 July 2008 Pages: 923 - 935
Molecular docking guided 3D-QSAR CoMFA analysis of N-4-Pyrimidinyl-1H-indazol-4-amine inhibitors of leukocyte-specific protein tyrosine kinase Mahendra AwaleC. Gopi Mohan Original Paper 15 July 2008 Pages: 937 - 947
The electronic structure of the C2H4O···2HF tri-molecular heterocyclic hydrogen-bonded complex: a theoretical study Boaz G. de OliveiraRegiane C. M. U. AraújoMozart N. Ramos Original Paper 15 July 2008 Pages: 949 - 955
Computational studies of the binding site of α1A-adrenoceptor antagonists Minyong LiHao FangBinghe Wang Original Paper 15 July 2008 Pages: 957 - 966
A computational investigation of sulfur-containing heterocyclic components from the anal sac secretions of Mustela species William N. Setzer Original Paper 15 July 2008 Pages: 967 - 973
A neural networks study of quinone compounds with trypanocidal activity Fábio Alberto de MolfettaWagner Fernando Delfino AngelottiAlbérico Borges Ferreira da Silva Original Paper 16 July 2008 Pages: 975 - 985
The anti-fibrillogenic activity of tetracyclines on PrP 106–126: a 3D-QSAR study Ugo CosentinoDemetrio PiteaMario Salmona Original Paper 16 July 2008 Pages: 987 - 994