1. The influence of hydrogen bonding on partition coefficients

   • Nádia Melo Borges
   • Peter W. Kenny
   • Geraldo Rodrigues Sartori

   Perspective 04 January 2017 Pages: 163 - 181

   

2. Combining MOSCED with molecular simulation free energy calculations or electronic structure calculations to develop an efficient tool for solvent formulation and selection

   • Courtney E. Cox
   • Jeremy R. Phifer
   • Andrew S. Paluch

   OriginalPaper 28 January 2017 Pages: 183 - 199

   

3. Exploring the stability of ligand binding modes to proteins by molecular dynamics simulations

   • Kai Liu
   • Etsurou Watanabe
   • Hironori Kokubo

   OriginalPaper 10 January 2017 Pages: 201 - 211

   

4. DockingApp: a user friendly interface for facilitated docking simulations with AutoDock Vina

   • Elena Di Muzio
   • Daniele Toti
   • Fabio Polticelli

   OriginalPaper 06 January 2017 Pages: 213 - 218

   

5. RNAHelix: computational modeling of nucleic acid structures with Watson–Crick and non-canonical base pairs

   • Dhananjay Bhattacharyya
   • Sukanya Halder
   • Manju Bansal

   OriginalPaper 19 January 2017 Pages: 219 - 235

   

6. Fast H-DROP: A thirty times accelerated version of H-DROP for interactive SVM-based prediction of helical domain linkers

   • Tambi Richa
   • Soichiro Ide
   • Yutaka Kuroda

   OriginalPaper 27 December 2016 Pages: 237 - 244