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Journal of Computer-Aided Molecular Design|January 5, 2002
CoMFA and CoMSIA 3D-quantitative structure-activity relationship model on benzodiazepine derivatives, inhibitors of phosphodiesterase IVP Ducrot, C R Andrianjara, R WrigglesworthJournal of Computer-Aided Molecular Design|January 5, 2002
Neuronal nicotinic receptor agonists: a multi-approach development of the pharmacophoreO Nicolotti, M Pellegrini-Calace, A Carrieri, et al.Journal of Computer-Aided Molecular Design|November 23, 2001
Prediction of blood-brain partitioning using Monte Carlo simulations of molecules in waterY N Kaznessis, M E Snow, C J BlankleyJournal of Computer-Aided Molecular Design|November 23, 2001
Implicit solvation in the self-consistent mean field theory method: sidechain modelling and prediction of folding free energies of protein mutantsJ Mendes, A M Baptista, M A Carrondo, et al.Journal of Computer-Aided Molecular Design|January 4, 2003
De novo ligand design with explicit water molecules: an application to bacterial neuraminidaseRicardo L ManceraJournal of Computer-Aided Molecular Design|January 4, 2003
Theoretical descriptors for the quantitative rationalisation of plastocyanin mutant functional propertiessF De Rienzo, G H Grant, M C MenzianiJournal of Computer-Aided Molecular Design|February 27, 2003
Predicting anticonvulsant activity of benzamides/benzylamines: computational approach using topological descriptorsS Sardana, A K MadanJournal of Computer-Aided Molecular Design|February 27, 2003
Metal complexes of chiral pentaazacrowns as conformational templates for beta-turn recognitionAndrea J H Reaka, Chris M W Ho, Garland R MarshallJournal of Computer-Aided Molecular Design|August 29, 2002
Molecular docking studies of a group of hydroxamate inhibitors with gelatinase-A by molecular dynamicsTingjun Hou, Wei Zhang, Xiaojie XuJournal of Computer-Aided Molecular Design|August 29, 2002
Effectiveness of graph-based and fingerprint-based similarity measures for virtual screening of 2D chemical structure databasesJohn W Raymond, Peter WillettPageof 263