Predicting bioactive conformations and binding modes of macrocycles Andrew AnighoroAntonio de la Vega de LeónJürgen Bajorath OriginalPaper 21 September 2016 Pages: 841 - 849
Structure-based approach for identification of novel phenylboronic acids as serine-β-lactamase inhibitors Jacopo SgrignaniFilomena De LucaGiovanni Grazioso OriginalPaper 08 September 2016 Pages: 851 - 861
In search of novel ligands using a structure-based approach: a case study on the adenosine A2A receptor Eelke B. LenselinkThijs BeumingAdriaan P. IJzerman OriginalPaper Open access 15 September 2016 Pages: 863 - 874
Prediction of peptide binding to a major histocompatibility complex class I molecule based on docking simulation Takeshi Ishikawa OriginalPaper 13 September 2016 Pages: 875 - 887
Predicting drug-induced liver injury in human with Naïve Bayes classifier approach Hui ZhangLan DingJi Zhang OriginalPaper 17 September 2016 Pages: 889 - 898
Effects of point mutations on the thermostability of B. subtilis lipase: investigating nonadditivity Bipin SinghGopalakrishnan BulusuAbhijit Mitra OriginalPaper 30 September 2016 Pages: 899 - 916
Role of R292K mutation in influenza H7N9 neuraminidase toward oseltamivir susceptibility: MD and MM/PB(GB)SA study Jiraphorn PhanichThanyada RungrotmongkolSupot Hannongbua OriginalPaper 06 October 2016 Pages: 917 - 926