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Journal of Computer-Aided Molecular Design|September 27, 2005
Design of recombinant stem cell factor-macrophage colony stimulating factor fusion proteins and their biological activity in vitroTao Chen, Jie Yang, Yuelang Wang, et al.Journal of Computer-Aided Molecular Design|May 3, 2006
Protein Alpha Shape (PAS) Dock: a new gaussian-based score function suitable for docking in homology modelled protein structuresKristin Tøndel, Endre Anderssen, Finn DrabløsJournal of Computer-Aided Molecular Design|September 30, 2006
A combined ligand-based and target-based drug design approach for G-protein coupled receptors: application to salvinorin A, a selective kappa opioid receptor agonistNidhi Singh, Gwénaël Chevé, David M Ferguson, et al.Journal of Computer-Aided Molecular Design|September 30, 2006
High-throughput structure-based pharmacophore modelling as a basis for successful parallel virtual screeningTheodora M Steindl, Daniela Schuster, Gerhard Wolber, et al.Journal of Computer-Aided Molecular Design|September 30, 2006
Inactive and active states and supramolecular organization of GPCRs: insights from computational modelingFrancesca Fanelli, Pier G De BenedettiJournal of Computer-Aided Molecular Design|August 10, 2006
A virtual active compound produced from the negative image of a ligand-binding pocket, and its application to in-silico drug screeningYoshifumi Fukunishi, Satoru Kubota, Chisato Kanai, et al.Journal of Computer-Aided Molecular Design|January 27, 2007
Comparative QSAR studies on PAMPA/modified PAMPA for high throughput profiling of drug absorption potential with respect to Caco-2 cells and human intestinal absorptionRajeshwar P Verma, Corwin Hansch, Cynthia D SelassieJournal of Computer-Aided Molecular Design|January 27, 2007
AllChem: generating and searching 10(20) synthetically accessible structuresRichard D Cramer, Farhad Soltanshahi, Robert Jilek, et al.Journal of Computer-Aided Molecular Design|December 7, 2007
Three-dimensional quantitative structure-activity relationship (3D QSAR) and pharmacophore elucidation of tetrahydropyran derivatives as serotonin and norepinephrine transporter inhibitorsPrashant S Kharkar, Maarten E A Reith, Aloke K DuttaJournal of Computer-Aided Molecular Design|December 12, 2007
Modeling the inhibition of quadruple mutant Plasmodium falciparum dihydrofolate reductase by pyrimethamine derivativesGary B Fogel, Mars Cheung, Eric Pittman, et al.Pageof 263