A structure-activity relationship study of catechol-O-methyltransferase inhibitors combining molecular docking and 3D QSAR methods Anu J. TervoTommi H. NyrönenAntti Poso OriginalPaper Pages: 797 - 810
In silico models for the prediction of dose-dependent human hepatotoxicity Ailan ChengSteven L. Dixon OriginalPaper Pages: 811 - 823
A molecular modeling study of inhibitors of nuclear factor kappa-B (p50) – DNA binding Vineet PandeRakesh K. SharmaMaria J. Ramos OriginalPaper Pages: 825 - 836
Molecular dynamics simulation of Matrix Metalloproteinase 2: fluctuations and time evolution of recognition pockets Mattia FalconiGioia AltobelliAlessandro Desideri OriginalPaper Pages: 837 - 848
Prediction of in vitro metabolic stability of calcitriol analogs by QSAR Berith F. JensenMorten D. SørensenLars Nørgaard OriginalPaper Pages: 849 - 859
Protein-ligand binding free energy estimation using molecular mechanics and continuum electrostatics. Application to HIV-1 protease inhibitors V. ZoeteO. MichielinM. Karplus OriginalPaper Pages: 861 - 880
