Challenges in the determination of the binding modes of non-standard ligands in X-ray crystal complexes Alpeshkumar K. MaldeAlan E. Mark Perspective 04 November 2010 Pages: 1 - 12
Computer-aided drug design platform using PyMOL Markus A. LillMatthew L. Danielson OriginalPaper 30 October 2010 Pages: 13 - 19
In silico strategies for the selection of chelating compounds with potential application in metal-promoted neurodegenerative diseases Cristina Rodríguez-RodríguezAlbert RimolaPilar González-Duarte OriginalPaper 09 November 2010 Pages: 21 - 30
Computer-assisted combinatorial design of bicyclic thymidine analogs as inhibitors of Mycobacterium tuberculosis thymidine monophosphate kinase Vladimir FrecerPierfausto SeneciStanislav Miertus OriginalPaper 17 November 2010 Pages: 31 - 49
Theoretical studies on the interaction of partial agonists with the 5-HT2A receptor Maria Elena SilvaRalf HeimStefan Dove OriginalPaper 19 November 2010 Pages: 51 - 66
Toward better QSAR/QSPR modeling: simultaneous outlier detection and variable selection using distribution of model features Dongsheng CaoYizeng LiangHongdong Li OriginalPaper 13 November 2010 Pages: 67 - 80
Molecular and structural determinants of adamantyl susceptibility to HLA-DRs allelic variants: an in silico approach to understand the mechanism of MLEs Zaheer-ul-HaqWaqasuddin Khan OriginalPaper 30 November 2010 Pages: 81 - 101