The influence of hydrogen bonding on partition coefficients Nádia Melo BorgesPeter W. KennyGeraldo Rodrigues Sartori Perspective 04 January 2017 Pages: 163 - 181
Combining MOSCED with molecular simulation free energy calculations or electronic structure calculations to develop an efficient tool for solvent formulation and selection Courtney E. CoxJeremy R. PhiferAndrew S. Paluch OriginalPaper 28 January 2017 Pages: 183 - 199
Exploring the stability of ligand binding modes to proteins by molecular dynamics simulations Kai LiuEtsurou WatanabeHironori Kokubo OriginalPaper 10 January 2017 Pages: 201 - 211
DockingApp: a user friendly interface for facilitated docking simulations with AutoDock Vina Elena Di MuzioDaniele TotiFabio Polticelli OriginalPaper 06 January 2017 Pages: 213 - 218
RNAHelix: computational modeling of nucleic acid structures with Watson–Crick and non-canonical base pairs Dhananjay BhattacharyyaSukanya HalderManju Bansal OriginalPaper 19 January 2017 Pages: 219 - 235
Fast H-DROP: A thirty times accelerated version of H-DROP for interactive SVM-based prediction of helical domain linkers Tambi RichaSoichiro IdeYutaka Kuroda OriginalPaper 27 December 2016 Pages: 237 - 244