1. Knowledge-guided docking: accurate prospective prediction of bound configurations of novel ligands using Surflex-Dock

   • Ann E. Cleves
   • Ajay N. Jain

   OriginalPaper Open access 05 May 2015 Pages: 485 - 509

   

2. An integrated suite of modeling tools that empower scientists in structure- and property-based drug design

   • Jianwen A. Feng
   • Ignacio Aliagas
   • Alberto Gobbi

   OriginalPaper 29 April 2015 Pages: 511 - 523

   

3. Computational and biophysical approaches to protein–protein interaction inhibition of Plasmodium falciparum AMA1/RON2 complex

   • Emilie Pihan
   • Roberto F. Delgadillo
   • Dominique Douguet

   OriginalPaper 31 March 2015 Pages: 525 - 539

   

4. Furan-based benzene mono- and dicarboxylic acid derivatives as multiple inhibitors of the bacterial Mur ligases (MurC–MurF): experimental and computational characterization

   • Andrej Perdih
   • Martina Hrast
   • Gerhard Wolber

   OriginalPaper 08 April 2015 Pages: 541 - 560

   

5. Combining docking-based comparative intermolecular contacts analysis and k-nearest neighbor correlation for the discovery of new check point kinase 1 inhibitors

   • Nour Jamal Jaradat
   • Mohammad A. Khanfar
   • Mutasem Omar Taha

   OriginalPaper 09 May 2015 Pages: 561 - 581