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Volume 1 / 1987 - Volume 26 / 2012
Formerly merged with Perspectives in Drug Discovery and Design (1993-2000)
1-17
Three-dimensional quantitative structure-activity relationship (3D QSAR) and pharmacophore elucidation of tetrahydropyran derivatives as serotonin and norepinephrine transporter inhibitors
Prashant S. Kharkar, Maarten E. A. Reith and Aloke K. Dutta
19-28
An eleven amino acid residue deletion expands the substrate specificity of acetyl xylan esterase II (AXE II) from Penicillium purpurogenum
Marcela Colombres, José A. Garate, Carlos F. Lagos, Raúl Araya-Secchi and Patricia Norambuena, et al.
29-38
Modeling the inhibition of quadruple mutant Plasmodium falciparum dihydrofolate reductase by pyrimethamine derivatives
Gary B. Fogel, Mars Cheung, Eric Pittman and David Hecht
39-51
The effect of numerical error on the reproducibility of molecular geometry optimizations
Christopher I. Williams and Miklos Feher
53-58
Molecular dynamics studies of α-helix stability in fibril-forming peptides
Erik Nordling, Yvonne Kallberg, Jan Johansson and Bengt Persson
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