Linear and nonlinear functions on modeling of aqueous solubility of organic compounds by two structure representation methods Aixia YanJohann GasteigerSoheila Anzali OriginalPaper Pages: 75 - 87
The effect of tightly bound water molecules on the structural interpretation of ligand-derived pharmacophore models David G. LloydAlfonso T. García-SosaRicardo L. Mancera OriginalPaper Pages: 89 - 100
Gaussian mapping of chemical fragments in ligand binding sites Kun WangMarta MurciaAngel R. Ortiz OriginalPaper Pages: 101 - 118
Comparison of a 3D-model of the classical α-scorpion toxin V from Leiurus quinquestriatus quinquestriatus with other scorpion toxins Stefanie BendelsHans-Dieter Höltje OriginalPaper Pages: 119 - 133
Quantitative structure–activity relationships from optimised ab initio bond lengths: steroid binding affinity and antibacterial activity of nitrofuran derivatives P.J. SmithP.L.A. Popelier OriginalPaper Pages: 135 - 143
Solvent effect on the synthesis of clarithromycin: A molecular dynamics study Dilek DuranViktorya AviyenteCanan Baysal OriginalPaper Pages: 145 - 154