Rescoring of docking poses under Occam’s Razor: are there simpler solutions? Michael ZheninMalkeet Singh BahiaDragos Horvath OriginalPaper 01 September 2018 Pages: 877 - 888
Protein–small molecule docking with receptor flexibility in iMOLSDOCK D. Sam PaulN. Gautham OriginalPaper 20 August 2018 Pages: 889 - 900
Discovery of novel wee1 inhibitors via structure-based virtual screening and biological evaluation Yaping LiYinglan PuZhili Zuo OriginalPaper 04 September 2018 Pages: 901 - 915
Identification of protoberberine alkaloids as novel histone methyltransferase G9a inhibitors by structure-based virtual screening Jie ChenXiao LinHyun-Ju Park OriginalPaper 31 August 2018 Pages: 917 - 928
Quantum chemical studies on anion specificity of CαNN motif in functional proteins Piya PatraMahua GhoshJaydeb Chakrabarti OriginalPaper 04 September 2018 Pages: 929 - 936