Compass: A shape-based machine learning tool for drug design Ajay N. JainThomas G. DietterichTomas Lozano-Perez Research Papers Pages: 635 - 652
Extended electron distributions applied to the molecular mechanics of some intermolecular interactions J. G. Vinter Research Papers Pages: 653 - 668
Prediction of the binding sites of huperzine A in acetylcholinesterase by docking studies Yuan-Ping PangAlan P. Kozikowski Research Papers Pages: 669 - 681
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 PangAlan P. Kozikowski Research Papers Pages: 683 - 693
Local elevation: A method for improving the searching properties of molecular dynamics simulation Thomas HuberAndrew E. TordaWilfred F. van Gunsteren Research Papers Pages: 695 - 708
Pharmacophore refinement of gpIIb/IIIa antagonists based on comparative studies of antiadhesive cyclic and acyclic RGD peptides Gerhard MüllerMarion GurrathHorst Kessler Research Papers Pages: 709 - 730
Finding potential DNA-binding compounds by using molecular shape Peter D. J. GrootenhuisDiana C. RoeIrwin D. Kuntz Research Papers Pages: 731 - 750
Different approaches toward an automatic structural alignment of drug molecules: Applications to sterol mimics, thrombin and thermolysin inhibitors Gerhard KlebeThomas MietznerFrank Weber Research Papers Pages: 751 - 778