Prediction of binding constants of protein ligands: A fast method for the prioritization of hits obtained from de novo design or 3D database search programs Hans-Joachim Böhm OriginalPaper Pages: 309 - 309
Identification and energetic ranking of possible docking sites for pterin on dihydrofolate reductase Andrey A. BliznyukJill E. Gready OriginalPaper Pages: 325 - 333
A branch-and-bound method for optimal atom-type assignment in de novo ligand design N.P. TodorovP.M. Dean OriginalPaper Pages: 335 - 335
Modelling a 3D structure for EgDf1 from shape Echinococcus granulosus: putative epitopes, phosphorylation motifs and ligand M. PaulinoA. EstevesO. Tapia OriginalPaper Pages: 351 - 351
Toward the identification of the cardiac cGMP inhibited-phosphodiesterase catalytic site Paola FossaRaffaella BoggiaLuisa Mosti OriginalPaper Pages: 361 - 361
Tautomeric equilibria in 8-oxopurines: Implications for mutagenicity Divi VenkateswarluJerzy Leszczynski OriginalPaper Pages: 373 - 373
Conformational energy penalties of protein-bound ligands Jonas BoströmPer-Ola NorrbyTommy Liljefors OriginalPaper Pages: 383 - 383
Comparative molecular field analysis of artemisinin derivatives: Ab initio versus semiempirical optimized structures Somsak TonmunpheanSirirat KokpolBernd M. Rode OriginalPaper Pages: 397 - 397