Volume 7, Number 1, February 1993

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  Chris M. W. Ho, Garland R. Marshall: FOUNDATION: A program to retrieve all possible structures containing a user-defined minimum number of matching query elements from three-dimensional databases. 3-22
• 
  Sergio H. Rotstein, Mark A. Murcko: GenStar: A method for de novo drug design. 23-43
• 
  Julie A. Calder, John A. Wyatt, David A. Frenkel, John E. Casida: CoMFA validation of the superposition of six classes of compounds which block GABA receptors non-competitively. 45-60
• 
  Patrick Camilleri, David J. Livingstone, José A. Murphy, David T. Manallack: Chiral chromatography and multivariate quantitative structure-property relationships of benzimidazole sulphoxides. 61-69
• 
  Ki Hwan Kim: Nonlinear dependence in comparative molecular field analysis. 71-82
• 
  Yvonne C. Martin, Mark G. Bures, Elizabeth A. Danaher, Jerry DeLazzer, Isabella Lico, Patricia A. Pavlik: A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists. 83-102
• 
  Ajay V. Shah, Daniel P. Dolata: Conformations of large cycloalkanes: Cyclooctadecane, cyclononadecane and cycloicosane. 103-124

Volume 7, Number 2, April 1993

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  Valerie J. Gillet, A. Peter Johnson, Paulina Mata, Sandor Sike, Philip Williams: SPROUT: A program for structure generation. 127-153
• 
  Tim D. J. Perkins, Philip M. Dean: An exploration of a novel strategy for superposing several flexible molecules. 155-172
• 
  Marcel L. Verdonk, Gertjan J. Boks, Huub Kooijman, Jan A. Kanters, Jan Kroon: Stereochemistry of charged nitrogen-aromatic interactions and its involvement in ligand-receptor binding. 173-182
• 
  Juan Ruiz, Manuel López, Josefa Milà, Estrella Lozoya, Juan José Lozano, Ramon Pouplana: QSAR and conformational analysis of the antiinflammatory agent amfenac and analogues. 183-198
• 
  Chhabinath Mandal, D. Scott Linthicum: PROGEN: An automated modelling algorithm for the generation of complete protein structures from the alpha-carbon atomic coordinates. 199-224
• 
  Andrew R. Leach: Constitutional, configurational and conformational analysis of transition metal coordination complexes. 225-240
• 
  Carlos Alemán, Juan J. Perez: SCF-MO study of the polyglycine II structure. 241-250

Volume 7, Number 3, June 1993

• 
  Thierry Langer, Camille G. Wermuth: Inhibitors of prolyl endopeptidase: Characterization of the pharmacophoric pattern using conformational analysis and 3D-QSAR. 253-262
• 
  Ki Hwan Kim, Giovanni Greco, Ettore Novellino, Carlo Silipo, Antonio Vittoria: Use of the hydrogen bond potential function in a comparative molecular field analysis (CoMFA) on a set of benzodiazepines. 263-280
• 
  Lucien M. H. Koymans, Nico P. E. Vermeulen, Allard Baarslag, Gabriëlle M. Donné-Op den Kelder: A preliminary 3D model for cytochrome P450 2D6 constructed by homology model building. 281-289
• 
  Piotr Cieplak, Peter A. Kollman: Peptide mimetics as enzyme inhibitors: Use of free energy perturbation calculations to evaluate isosteric replacement for amide bonds in a potent HIV protease inhibitor. 291-304
• 
  Paul R. Gerber, Alan E. Mark, Wilfred F. van Gunsteren: An approximate but efficient method to calculate free energy trends by computer simulation: Application to dihydrofolate reductase-inhibitor complexes. 305-323
• 
  Guy Diana, Edward P. Jaeger, Melissa L. Peterson, Adi M. Treasurywala: The use of an algorithmic method for small molecule superimpositions in the design of antiviral agents. 325-335
• 
  Ferran Sanz, Francesc Manaut, Jesús Rodríguez, Estrella Lozoya, Elena López-de-Briñas: MEPSIM: A computational package for analysis and comparison of molecular electrostatic potentials. 337-347
• 
  Gilles Klopman, Dmitri Ptchelintsev: Antifungal triazole alcohols: A comparative analysis of structure-activity, structure-teratogenicity and structure-therapeutic index relationships using the Multiple Computer-Automated Structure Evaluation (Multi-CASE) methodology. 349-362

Volume 7, Number 4, August 1993

• 
  Gert Vriend, Vincent Eijsink: Prediction and analysis of structure, stability and unfolding of thermolysin-like proteases. 367-396
• 
  Adam Godzik, Andrzej Kolinski, Jeffrey Skolnick: De novo and inverse folding predictions of protein structure and dynamics. 397-438
• 
  David T. Jones, Janet M. Thornton: Protein fold recognition. 439-456
• 
  Ron Unger, Joel L. Sussman: The importance of short structural motifs in protein structure analysis. 457-472
• 
  Manfred J. Sippl: Boltzmann's principle, knowledge-based mean fields and protein folding. An approach to the computational determination of protein structures. 473-501

Volume 7, Number 5, October 1993

• 
  Wolfgang Heiden, Gerd Moeckel, Jürgen Brickmann: A new approach to analysis and display of local lipophilicity/hydrophilicity mapped on molecular surfaces. 503-514
• 
  Edward E. Hodgkin, Andrew Miller, Mark Whittaker: A Monte Carlo pharmacophore generation procedure: Application to the human PAF receptor. 515-534
• 
  Peter L. Cummins, Jill E. Gready: Computer-aided drug design: A free energy perturbation study on the binding of methyl-substituted pterins and N5-deazapterins to dihydrofolate reductase. 535-555
• 
  Daniela Barlocco, Giorgio Cignarella, Giovanni Greco, Ettore Novellino: Computer-aided structure-affinity relationships in a set of piperazine and 3, 8-diazabicyclo[3.2.1]octane derivatives binding to the µ-opioid receptor. 557-571
• 
  John Maddock, Gerald Pattenden, Paul G. Wight: Stereochemistry of ulapualides, a new family of tris-oxazole-containing macrolide ionophores from marine nudibranchs. A molecular mechanics study. 573-586
• 
  Bruce L. Bush, Robert B. Nachbar: Sample-distance Partial Least Squares: PLS optimized for many variables, with application to CoMFA. 587-619

Volume 7, Number 6, December 1993

• 
  Chris M. W. Ho, Garland R. Marshall: SPLICE: A program to assemble partial query solutions from three-dimensional database searches into novel ligands. 623-647
• 
  Laerte Oliveira, A. C. M. Paiva, Gert Vriend: A common motif in G-protein-coupled seven transmembrane helix receptors. 649-658
• 
  Ibon Alkorta, Hugo O. Villar: Considerations on the recognition of the D1 receptor by agonists. 659-670
• 
  Ulf Norinder: A PLS QSAR analysis using 3D generated aromatic descriptors of principal property type: Application to some dopamine D2 benzamide antagonists. 671-682
• 
  Jean-Philippe Demaret, Jean-Pierre Ballini, Paul Vigny: Molecular mechanics and dynamics study of DNA-furocoumarins complexes: Effect of methylation of the angular derivatives on the intercalation geometry. 683-698
• 
  Monika Tarnowska, Adam Liwo, Mark D. Shenderovich, Inta Liepina, Alexander Golbraikh, Zbigniew Grzonka, Anna Tempczyk: A molecular mechanics study of the effect of substitution in position 1 on the conformational space of the oxytocin/vasopressin ring. 699-720
• 
  Carlos Alemán, F. Javier Luque, Modesto Orozco: A new scaling procedure to correct semiempirical MEP and MEP-derived properties. 721-742

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