1. Impact of distance-based metric learning on classification and visualization model performance and structure–activity landscapes

   • Natalia V. Kireeva
   • Svetlana I. Ovchinnikova
   • Aslan Yu. Tsivadze

   OriginalPaper 04 February 2014 Pages: 61 - 73

   

2. Structure-guided optimization of small molecule c-Abl activators

   • Xuan Hong
   • Ping Cao
   • Martha S. Head

   OriginalPaper Open access 27 February 2014 Pages: 75 - 87

   

3. Prospective virtual screening for novel p53–MDM2 inhibitors using ultrafast shape recognition

   • Sachin P. Patil
   • Pedro J. Ballester
   • Cassidy R. Kerezsi

   OriginalPaper 20 February 2014 Pages: 89 - 97

   

4. Computational prediction of kink properties of helices in membrane proteins

   • T.-L. Mai
   • C.-M. Chen

   OriginalPaper 21 February 2014 Pages: 99 - 109

   

5. Computational atomistic blueprinting of novel conducting copolymers using particle swarm optimization

   • Priyanka Thakral
   • A. K. Bakhshi

   OriginalPaper 02 March 2014 Pages: 111 - 122

   

6. Reinforcing the membrane-mediated mechanism of action of the anti-tuberculosis candidate drug thioridazine with molecular simulations

   • Wojciech Kopec
   • Himanshu Khandelia

   OriginalPaper 01 March 2014 Pages: 123 - 134