1. Compass: A shape-based machine learning tool for drug design

   • Ajay N. Jain
   • Thomas G. Dietterich
   • Tomas Lozano-Perez

   Research Papers Pages: 635 - 652

2. Extended electron distributions applied to the molecular mechanics of some intermolecular interactions

   • J. G. Vinter

   Research Papers Pages: 653 - 668

3. Prediction of the binding sites of huperzine A in acetylcholinesterase by docking studies

   • Yuan-Ping Pang
   • Alan P. Kozikowski

   Research Papers Pages: 669 - 681

4. Prediction of the binding site of 1-benzyl-4-[(5,6-dimethoxy-1-indanon-2-yl)methyl]piperidine in acetylcholinesterase by docking studies with the SYSDOC program

   • Yuan-Ping Pang
   • Alan P. Kozikowski

   Research Papers Pages: 683 - 693

5. Local elevation: A method for improving the searching properties of molecular dynamics simulation

   • Thomas Huber
   • Andrew E. Torda
   • Wilfred F. van Gunsteren

   Research Papers Pages: 695 - 708

6. Pharmacophore refinement of gpIIb/IIIa antagonists based on comparative studies of antiadhesive cyclic and acyclic RGD peptides

   • Gerhard Müller
   • Marion Gurrath
   • Horst Kessler

   Research Papers Pages: 709 - 730

7. Finding potential DNA-binding compounds by using molecular shape

   • Peter D. J. Grootenhuis
   • Diana C. Roe
   • Irwin D. Kuntz

   Research Papers Pages: 731 - 750

8. Different approaches toward an automatic structural alignment of drug molecules: Applications to sterol mimics, thrombin and thermolysin inhibitors

   • Gerhard Klebe
   • Thomas Mietzner
   • Frank Weber

   Research Papers Pages: 751 - 778

9. Calendar

   Events Pages: 779 - 779