In this issue (9 articles)

1. Editorial

   Our gratitude to outgoing Editor-in-Chief Andrew Leach and a hearty welcome to new Editor-in-Chief, Richards Lewis

   Terry R. Stouch Page 993

   Download PDF (86KB) View Article

2. 

   OriginalPaper

   AtlasCBS: a web server to map and explore chemico-biological space

   Álvaro Cortés-Cabrera, Antonio Morreale… Pages 995-1003

   Look Inside Get Access

3. 

   OriginalPaper

   Structure-based virtual screening of small-molecule antagonists of platelet integrin αIIbβ3 that do not prime the receptor to bind ligand

   Ana Negri, Jihong Li, Sarasija Naini… Pages 1005-1015

   Look Inside Get Access

4. 

   OriginalPaper

   Integrated in silico approaches for the prediction of Ames test mutagenicity

   Sandeep Modi, Jin Li, Sophie Malcomber… Pages 1017-1033

   Look Inside Get Access

5. 

   OriginalPaper

   Mechanism of falcipain-2 inhibition by α,β-unsaturated benzo[1,4]diazepin-2-one methyl ester

   Giovanni Grazioso, Laura Legnani, Lucio Toma… Pages 1035-1043

   Look Inside Get Access

6. OriginalPaper

   Triple hydrogen bonding in a circular arrangement: ab initio, DFT and first-principles MD studies of tris-hydroxyaryl enamines

   Agata Martyniak, Jarosław Panek… Pages 1045-1053

   Download PDF (823KB) View Article

7. 

   OriginalPaper

   The receptor-dependent LQTA-QSAR: application to a set of trypanothione reductase inhibitors

   Euzébio G. Barbosa… Pages 1055-1065

   Look Inside Get Access

8. 

   OriginalPaper

   Computational discovery of putative quorum sensing inhibitors against LasR and RhlR receptor proteins of Pseudomonas aeruginosa

   Angusamy Annapoorani, Venugopal Umamageswaran… Pages 1067-1077

   Look Inside Get Access

9. 

   OriginalPaper

   Computational design of a Diels–Alderase from a thermophilic esterase: the importance of dynamics

   Mats Linder, Adam Johannes Johansson… Pages 1079-1095

   Look Inside Get Access