Introducing the ‘active search’ method for iterative virtual screening Roman GarnettThomas GärtnerJürgen Bajorath OriginalPaper 01 February 2015 Pages: 305 - 314
BEDAM binding free energy predictions for the SAMPL4 octa-acid host challenge Emilio GallicchioHaoyuan ChenRonald M. Levy OriginalPaper 01 March 2015 Pages: 315 - 325
A probabilistic method to report predictions from a human liver microsomes stability QSAR model: a practical tool for drug discovery Ignacio AliagasAlberto GobbiS. Cyrus Khojasteh OriginalPaper 24 February 2015 Pages: 327 - 338
In silico identification of novel ligands for G-quadruplex in the c-MYC promoter Hyun-Jin KangHyun-Ju Park OriginalPaper 20 December 2014 Pages: 339 - 348
A comparative study of family-specific protein–ligand complex affinity prediction based on random forest approach Yu WangYanzhi GuoMenglong Li OriginalPaper 20 December 2014 Pages: 349 - 360
Prediction and interpretation of the lipophilicity of small peptides Alessia ViscontiGiuseppe ErmondiRoberto Esposito OriginalPaper 11 January 2015 Pages: 361 - 370
Structural dynamics of native and V260E mutant C-terminal domain of HIV-1 integrase Balasubramanian SangeethaRajagopalan MuthukumaranRamaswamy Amutha OriginalPaper 14 January 2015 Pages: 371 - 385