1. Evaluation of proposed modes of binding of (2S)-2-[4-[[(3S)-1-acetimidoyl-3-pyrrolidinyl]oxy]phenyl]-3-(7-amidino-2-naphthyl)propanoic acid hydrochloride and some analogs to Factor Xa using a comparative molecular field analysis

   • Roy J. Vaz
   • Larry R. McLean
   • John T. Pelton

   OriginalPaper Pages: 99 - 110

2. BUNDLE: A program for building the transmembrane domains of G-protein-coupled receptors

   • Marta Filizola
   • Juan J. Perez
   • Maria Cartenì-Farina

   OriginalPaper Pages: 111 - 118

3. Computation of affinity and selectivity: Binding of 2,4-diaminopteridine and 2,4-diaminoquinazoline inhibitors to dihydrofolate reductases

   • John Marelius
   • Malin Graffner-Nordberg
   • Johan Åqvist

   OriginalPaper Pages: 119 - 131

4. MTD-ADJ: A multiconformational minimal topologic difference for determining bioactive conformers using adjusted biological activities

   • Traian Sulea
   • Ludovic Kurunczi
   • Zeno Simon

   OriginalPaper Pages: 133 - 146

5. Structural models of antibody variable fragments: A method for investigating binding mechanisms

   • Samuel Petit
   • Frédéric Brard
   • François Tron

   OriginalPaper Pages: 147 - 163

6. Comparison of 3D quantitative structure-activity relationship methods: Analysis of the in vitro antimalarial activity of 154 artemisinin analogues by hypothetical active-site lattice and comparative molecular field analysis

   • John R. Woolfrey
   • Mitchell A. Avery
   • Arthur M. Doweyko

   OriginalPaper Pages: 165 - 181

7. Ab initio calculations on iron-porphyrin model systems for intermediates in the oxidative cycle of cytochrome P450s

   • Marcel J. de Groot
   • Remco W.A. Havenith
   • Joop H. van Lenthe

   OriginalPaper Pages: 183 - 193

8. Conformational analysis of [Met5]-enkephalin: Solvation and ionization considerations

   • Louis Carlacci

   OriginalPaper Pages: 195 - 213