The backbone of our chemical computations Terry Richard Stouch Editorial 22 February 2019 Pages: 129 - 131
Biomolecular force fields: where have we been, where are we now, where do we need to go and how do we get there? Pnina Dauber-OsguthorpeA. T. Hagler Perspective 30 November 2018 Pages: 133 - 203
Force field development phase II: Relaxation of physics-based criteria… or inclusion of more rigorous physics into the representation of molecular energetics A. T. Hagler Perspective 30 November 2018 Pages: 205 - 264
Structural characterization and molecular dynamics simulations of the caprine and bovine solute carrier family 11 A1 (SLC11A1) Kostas A. TriantaphyllopoulosFotis A. BaltoumasStavros J. Hamodrakas OriginalPaper 12 December 2018 Pages: 265 - 285
Active learning strategies with COMBINE analysis: new tricks for an old dog Lucia FusaniAlvaro Cortes Cabrera OriginalPaper 18 December 2018 Pages: 287 - 294
First virtual screening and experimental validation of inhibitors targeting GES-5 carbapenemase Francesca SpyrakisPierangelo BellioDonatella Tondi OriginalPaper 02 January 2019 Pages: 295 - 305