Chemical and protein structural basis for biological crosstalk between PPARα and COX enzymes Ann E. ClevesAjay N. Jain OriginalPaper Open access 27 November 2014 Pages: 101 - 112
Design and characterization of chemical space networks for different compound data sets Magdalena ZwierzynaMartin VogtJürgen Bajorath OriginalPaper 03 December 2014 Pages: 113 - 125
Proteochemometric model for predicting the inhibition of penicillin-binding proteins Sunanta NabuChanin NantasenamatVirapong Prachayasittikul OriginalPaper 26 October 2014 Pages: 127 - 141
Assessment of the tautomeric population of benzimidazole derivatives in solution: a simple and versatile theoretical–experimental approach Carlos DiazLigia LloveraFlorencio E. Hernández OriginalPaper 16 December 2014 Pages: 143 - 154
Identification of antipsychotic drug fluspirilene as a potential p53-MDM2 inhibitor: a combined computational and experimental study Sachin P. PatilMichael F. PacittiJohn W. Stoddart OriginalPaper 07 November 2014 Pages: 155 - 163
Exploring conformational search protocols for ligand-based virtual screening and 3-D QSAR modeling Daniel CappelSteven L. DixonJianxin Duan OriginalPaper 19 November 2014 Pages: 165 - 182
Predicting targets of compounds against neurological diseases using cheminformatic methodology Katarina NikolicLazaros MavridisJohn B. O. Mitchell OriginalPaper 26 November 2014 Pages: 183 - 198