1. Free enthalpies of replacing water molecules in protein binding pockets

   • Sereina Riniker
   • Luzi J. Barandun
   • Wilfred F. van Gunsteren

   OriginalPaper 18 December 2012 Pages: 1293 - 1309

   

2. Extensive structural change of the envelope protein of dengue virus induced by a tuned ionic strength: conformational and energetic analyses

   • Léo Degrève
   • Carlos A. Fuzo
   • Antonio Caliri

   OriginalPaper Open access 18 November 2012 Pages: 1311 - 1325

   

3. Computational insights into the selectivity mechanism of APP-IP over matrix metalloproteinases

   • Lingling Geng
   • Jian Gao
   • Bozhen Chen

   OriginalPaper 09 December 2012 Pages: 1327 - 1342

   

4. Modeling the evolution of drug resistance in malaria

   • David Hecht
   • Gary B. Fogel

   OriginalPaper 21 November 2012 Pages: 1343 - 1353

   

5. New insights from molecular dynamic simulation studies of the multiple binding modes of a ligand with G-quadruplex DNA

   • Jin-Qiang Hou
   • Shuo-Bin Chen
   • Zhi-Shu Huang

   OriginalPaper 13 December 2012 Pages: 1355 - 1368

   

6. A novel view of modelling interactions between synthetic and biological polymers via docking

   • Vladimir B. Tsvetkov
   • Alexander V. Serbin

   OriginalPaper 13 December 2012 Pages: 1369 - 1388