A new approach to analysis and display of local lipophilicity/hydrophilicity mapped on molecular surfaces Wolfgang HeidenGerd MoeckelJ. Brickmann Research Papers Pages: 503 - 514
A Monte Carlo pharmacophore generation procedure: Application to the human PAF receptor Edward E. HodgkinAndrew MillerMark Whittaker Research Papers Pages: 515 - 534
Computer-aided drug design: A free energy perturbation study on the binding of methyl-substituted pterins and N5-deazapterins to dihydrofolate reductase Peter L. CumminsJill E. Gready Research Papers Pages: 535 - 555
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 Daniela BarloccoGiorgio CignarellaEttore Novellino Research Papers Pages: 557 - 571
Stereochemistry of ulapualides, a new family of tris-oxazole-containing macrolide ionophores from marine nudibranchs. A molecular mechanics study John MaddockGerald PattendenPaul G. Wight Research Papers Pages: 573 - 586
Sample-distance partial least squares: PLS optimized for many variables, with application to CoMFA Bruce L. BushRobert B. Nachbar Jr. Research Papers Pages: 587 - 619