Computational study of pH-dependent oligomerization and ligand binding in Alt a 1, a highly allergenic protein with a unique fold María Garrido-ArandiaJorge BretonesLuis F. Pacios OriginalPaper 18 April 2016 Pages: 365 - 379
The analysis of the market success of FDA approvals by probing top 100 bestselling drugs Jaroslaw PolanskiJacek BogoczAleksandra Tkocz OriginalPaper 28 April 2016 Pages: 381 - 389
Kinetic barriers in the isomerization of substituted ureas: implications for computer-aided drug design Johannes R. LoefflerEmanuel S. R. EhmkiKlaus R. Liedl OriginalPaper Open access 07 June 2016 Pages: 391 - 400
Computational approaches for predicting mutant protein stability Shweta KulshreshthaVigi ChaudharyNidhi Mathur OriginalPaper 09 May 2016 Pages: 401 - 412
TargetNet: a web service for predicting potential drug–target interaction profiling via multi-target SAR models Zhi-Jiang YaoJie DongDong-Sheng Cao OriginalPaper 11 May 2016 Pages: 413 - 424
Ring system-based chemical graph generation for de novo molecular design Tomoyuki MiyaoHiromasa KanekoKimito Funatsu OriginalPaper 14 June 2016 Pages: 425 - 446