Multiconformational composite molecular potential fields in the analysis of drug action. I. Methodology and first evaluation using 5-HT and histamine action as examples J. G. VinterK. I. Trollope Research Papers Pages: 297 - 307
Calculation of hydrophobic parameters directly from three-dimensional structures using comparative molecular field analysis Ki Hwan Kim Research Papers Pages: 308 - 318
Modelling and mutation studies on the histamine H1-receptor agonist binding site reveal different binding modes for H1-agonists: Asp116 (TM3) has a constitutive role in receptor stimulation Anton M. ter LaakHendrik TimmermanGabriëlle M. Donné-Op den Kelder Research Papers Pages: 319 - 330
Applications of momentum-space similarity Peter T. MeasuresKatherine A. MortDavid L. Cooper Research Papers Pages: 331 - 340
The atom assignment problem in automated de novo drug design. 1. Transferability of molecular fragment properties M. T. BarakatP. M. Dean Research Papers Pages: 341 - 350
The atom assignment problem in automated de novo drug design. 2. A method for molecular graph and fragment perception M. T. BarakatP. M. Dean Research Papers Pages: 351 - 358
The atom assignment problem in automated de novo drug design. 3. Algorithms for optimization of fragment placement onto 3D molecular graphs M. T. BarakatP. M. Dean Research Papers Pages: 359 - 372
Investigating the extension of pairwise distance pharmacophore measures to triplet-based descriptors Andrew C. GoodIrwin D. Kuntz Research Papers Pages: 373 - 379