1. Comparing the performance of meta-classifiers—a case study on selected imbalanced data sets relevant for prediction of liver toxicity

   • Sankalp Jain
   • Eleni Kotsampasakou
   • Gerhard F. Ecker

   OriginalPaper Open access 06 April 2018 Pages: 583 - 590

   

2. Investigation of the binding mode of a novel cruzain inhibitor by docking, molecular dynamics, ab initio and MM/PBSA calculations

   • Luan Carvalho Martins
   • Pedro Henrique Monteiro Torres
   • Rafaela Salgado Ferreira

   OriginalPaper 21 March 2018 Pages: 591 - 605

   

3. Binding free energy calculations to rationalize the interactions of huprines with acetylcholinesterase

   • Érica C. M. Nascimento
   • Mónica Oliva
   • Juan Andrés

   OriginalPaper 26 March 2018 Pages: 607 - 622

   

4. Molecular dynamics characterization of the SAMHD1 Aicardi–Goutières Arg145Gln mutant: structural determinants for the impaired tetramerization

   • Francesca Cardamone
   • Mattia Falconi
   • Alessandro Desideri

   OriginalPaper 28 March 2018 Pages: 623 - 632

   

5. DR2DI: a powerful computational tool for predicting novel drug-disease associations

   • Lu Lu
   • Hua Yu

   OriginalPaper 23 April 2018 Pages: 633 - 642

   

6. Discovery of a small-molecule inhibitor of Dvl–CXXC5 interaction by computational approaches

   • Songling Ma
   • Jiwon Choi
   • Kyoung Tai No

   OriginalPaper 07 April 2018 Pages: 643 - 655