Structure based classification for bile salt export pump (BSEP) inhibitors using comparative structural modeling of human BSEP Sankalp JainMelanie GranditsGerhard F. Ecker OriginalPaper Open access 19 May 2017 Pages: 507 - 521
MolAlign: an algorithm for aligning multiple small molecules Shek Ling Chan OriginalPaper 01 June 2017 Pages: 523 - 546
Discovery of novel inhibitors for Leishmania nucleoside diphosphatase kinase (NDK) based on its structural and functional characterization Arjun K. MishraNidhi SinghJ. Venkatesh Pratap OriginalPaper 27 May 2017 Pages: 547 - 562
Assessing protein–ligand binding modes with computational tools: the case of PDE4B Gülşah ÇifciViktorya AviyenteGerald Monard OriginalPaper 22 May 2017 Pages: 563 - 575
Antagonist-perturbation mechanism for activation function-2 fixed motifs: active conformation and docking mode of retinoid X receptor antagonists Motonori Tsuji OriginalPaper 22 May 2017 Pages: 577 - 585
DFT-based prediction of reactivity of short-chain alcohol dehydrogenase I. StawoskaA. DudzikM. Szaleniec OriginalPaper Open access 26 May 2017 Pages: 587 - 602
