1. Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules

   • Timon Sebastian Schroeter
   • Anton Schwaighofer
   • Klaus-Robert Müller

   OriginalPaper 14 July 2007 Pages: 485 - 498

   

2. Analysis of the activation mechanism of the guinea-pig Histamine H₁-receptor

   • Andrea Straßer
   • Hans-Joachim Wittmann

   OriginalPaper 22 August 2007 Pages: 499 - 509

   

3. Toward Mycobacterium tuberculosis DXR inhibitor design: homology modeling and molecular dynamics simulations

   • Nidhi Singh
   • Mitchell A. Avery
   • Christopher R. McCurdy

   OriginalPaper 14 September 2007 Pages: 511 - 522

   

4. IA, database of known ligands of aminoacyl-tRNA synthetases

   • Mieczyslaw Torchala
   • Marcin Hoffmann

   OriginalPaper 20 September 2007 Pages: 523 - 525

   

5. A successful virtual screening application: prediction of anticonvulsant activity in MES test of widely used pharmaceutical and food preservatives methylparaben and propylparaben

   • Alan Talevi
   • Carolina L. Bellera
   • Luis E. Bruno-Blanch

   OriginalPaper 25 October 2007 Pages: 527 - 538

   

6. Effective virtual screening protocol for CYP2C9 ligands using a screening site constructed from flurbiprofen and S-warfarin pockets

   • Tímea Polgár
   • Dóra K. Menyhárd
   • György M. Keserű

   OriginalPaper 25 October 2007 Pages: 539 - 548