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Volume 1 / 1987 - Volume 26 / 2012
Formerly merged with Perspectives in Drug Discovery and Design (1993-2000)
63-71
An improved method to predict the entropy term with the MM/PBSA approach
Jacob Kongsted and Ulf Ryde
73-86
What induces pocket openings on protein surface patches involved in protein–protein interactions?
Susanne Eyrisch and Volkhard Helms
87-95
A virtual library of constrained cyclic tetrapeptides that mimics all four side-chain orientations for over half the reverse turns in the protein data bank
Sage Arbor and Garland R. Marshall
97-103
Structural pairwise comparisons of HLM stability of phenyl derivatives: Introduction of the Pfizer metabolism index (PMI) and metabolism-lipophilicity efficiency (MLE)
Mark L. Lewis and Lourdes Cucurull-Sanchez
105-111
Parameterization of an empirical model for the prediction of n -octanol, alkane and cyclohexane/water as well as brain/blood partition coefficients
Mohamed Zerara, Jürgen Brickmann, Robert Kretschmer and Thomas E. Exner
113-127
Glycogen synthase kinase-3 inhibition by 3-anilino-4-phenylmaleimides: insights from 3D-QSAR and docking
Sivaprakasam Prasanna, Pankaj R. Daga, Aihua Xie and Robert J. Doerksen
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