Visualizing protein–ligand binding with chemical energy-wise decomposition (CHEWD): application to ligand binding in the kallikrein-8 S1 Site Saad RazaKara E. RanaghanSyed Sikander Azam OriginalPaper 15 April 2019 Pages: 461 - 475
BCL::Mol2D—a robust atom environment descriptor for QSAR modeling and lead optimization Oanh VuJeffrey MendenhallJens Meiler OriginalPaper 06 April 2019 Pages: 477 - 486
Evaluating the performance of MM/PBSA for binding affinity prediction using class A GPCR crystal structures Mei Qian YauAbigail L. EmtageJason S. E. Loo OriginalPaper 15 April 2019 Pages: 487 - 496
ToGo-WF: prediction of RNA tertiary structures and RNA–RNA/protein interactions using the KNIME workflow Satoshi YamasakiTakayuki AmemiyaKazuhiko Fukui OriginalPaper 06 March 2019 Pages: 497 - 507
Elucidating the druggability of the human proteome with eFindSite Omar KanaMichal Brylinski OriginalPaper 19 March 2019 Pages: 509 - 519
Discovery of new multifunctional selective acetylcholinesterase inhibitors: structure-based virtual screening and biological evaluation Cheng-Shi JiangYong-Xi GeHua Zhang OriginalPaper 15 April 2019 Pages: 521 - 530