mRAISE: an alternative algorithmic approach to ligand-based virtual screening Mathias M. von BehrenStefan BietzMatthias Rarey OriginalPaper 26 August 2016 Pages: 583 - 594
Molecular graph convolutions: moving beyond fingerprints Steven KearnesKevin McCloskeyPatrick Riley OriginalPaper 24 August 2016 Pages: 595 - 608
ROCS-derived features for virtual screening Steven KearnesVijay Pande OriginalPaper 08 September 2016 Pages: 609 - 617
Azahar: a PyMOL plugin for construction, visualization and analysis of glycan molecules Agustina ArroyueloJorge A. VilaOsvaldo A. Martin OriginalPaper 22 August 2016 Pages: 619 - 624
Pharmacophore-based virtual screening, biological evaluation and binding mode analysis of a novel protease-activated receptor 2 antagonist Nam-Chul ChoSeoung-Hwan SeoAe Nim Pae OriginalPaper 06 September 2016 Pages: 625 - 637
Discovery of DNA dyes Hoechst 34580 and 33342 as good candidates for inhibiting amyloid beta formation: in silico and in vitro study Nguyen Quoc ThaiNing-Hsuan TsengMai Suan Li OriginalPaper Open access 10 August 2016 Pages: 639 - 650