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Conformational preferences of the potent dopamine reuptake blocker BTCP and its analogs and their incorporation into a pharmacophore model Mark FroimowitzKuo-Ming WuClifford George OriginalPaper Pages: 135 - 146
Automated docking and molecular dynamics simulations of nimesulide in the cyclooxygenase active site of human prostaglandin-endoperoxide synthase-2 (COX-2) Raquel García-NietoCarlos PérezFederico Gago OriginalPaper Pages: 147 - 160
Design of dimerization inhibitors of HIV-1 aspartic proteinase: A computer-based combinatorial approach Amedeo CaflischHans J. SchrammMartin Karplus OriginalPaper Pages: 161 - 179
Homology model directed alignment selection for comparative molecular field analysis: Application to photosystem II inhibitors Mehran JalaieJon A. Erickson OriginalPaper Pages: 181 - 197
Morphological similarity: A 3D molecular similarity method correlated with protein-ligand recognition Ajay N. Jain OriginalPaper Pages: 199 - 213