Computational methods for the structural alignment of molecules Christian LemmenThomas Lengauer Legacy Pages: 215 - 232
The effect of isodensity surface sampling on ESP derived charges and the effect of adding bondcenters on DMA derived charges G. SchaftenaarJ.H. Noordik OriginalPaper Pages: 233 - 242
Ab initio study on tautomerism of 2-thiouracil in the gas phase and in solution Hülya Yekeler OriginalPaper Pages: 243 - 250
Property distribution of drug-related chemical databases* Tudor I. Oprea OriginalPaper Pages: 251 - 264
A CoMFA analysis with conformational propensity: An attempt to analyze the SAR of a set of molecules with different conformational flexibility using a 3D-QSAR method Keigo GohdaIchiro MoriTakeshi Kikuchi OriginalPaper Pages: 265 - 275
Chemometric rationalization of the structural and physicochemical basis for selective cyclooxygenase-2 inhibition: Toward more specific ligands Enrica FilipponiVioletta CecchettiArnaldo Fravolini OriginalPaper Pages: 277 - 291
Global 3D-QSAR methods: MS-WHIM and autocorrelation Emanuela GanciaGianpaolo BraviAndrea Zaliani OriginalPaper Pages: 293 - 306
