Obituary: Toshio Fujita, QSAR pioneer Miki AkamatsuTudor I. Oprea Letter 08 November 2017 Pages: 959 - 960
From bird’s eye views to molecular communities: two-layered visualization of structure–activity relationships in large compound data sets Shilva KayasthaRyo KunimotoJürgen Bajorath OriginalPaper 06 October 2017 Pages: 961 - 977
Comparing pharmacophore models derived from crystallography and NMR ensembles Phani GhanakotaHeather A. Carlson OriginalPaper 19 October 2017 Pages: 979 - 993
Identification of the quinolinedione inhibitor binding site in Cdc25 phosphatase B through docking and molecular dynamics simulations Yushu GeMarc van der KampAdrian J. Mulholland OriginalPaper 09 October 2017 Pages: 995 - 1007
New insights into flavivirus biology: the influence of pH over interactions between prM and E proteins Edson R. A. OliveiraRicardo B. de AlencastroBruno A. C. Horta OriginalPaper 24 October 2017 Pages: 1009 - 1019
Computational modeling and in-vitro/in-silico correlation of phospholipid-based prodrugs for targeted drug delivery in inflammatory bowel disease Arik DahanMilica MarkovicShimon Ben-Shabat OriginalPaper 03 November 2017 Pages: 1021 - 1028
Effective prediction of bacterial type IV secreted effectors by combined features of both C-termini and N-termini Yu WangYanzhi GuoMenglong Li OriginalPaper 10 November 2017 Pages: 1029 - 1038