1. A new method for estimating the importance of hydrogen-bonding groups in the binding site of a protein

   • Matthew D. Kelly
   • Ricardo L. Mancera

   OriginalPaper Pages: 401 - 414

2. Prediction of blood–brain barrier permeation using quantum chemically derived information

   • Michael C. Hutter

   OriginalPaper Pages: 415 - 443

3. A Bayesian molecular interaction library

   • Ville-Veikko Rantanen
   • Mats Gyllenberg
   • Mark S. Johnson

   OriginalPaper Pages: 435 - 461

4. New designs for MRI contrast agents

   • P.A. Fernandes
   • A.T.P. Carvalho
   • M.J. Ramos

   OriginalPaper Pages: 463 - 473