Daniel D. Robinson

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Self-organizing molecular field analysis (SOMFA) is a novel technique for three-dimensional quantitative structure-activity relations (3D-QSAR). It is simple and intuitive in concept and avoids the complex statistical tools and variable selection procedures favored by other methods. Our calculations show the method to be as predictive as the best 3D-QSAR(More)
Prior stress exposure is known to alter the activation response to a subsequent stressor. In the present study, we examined neurochemical, neuroendocrinological, and behavioral correlates of short-term adaptation to homotypic stressors administered 60 min apart. An initial electric footshock significantly induced extracellular levels of both serotonin(More)
The morphology of the extratesticular rete and ductuli efferentes was reexamined in serial cross sections collected from the entire mass of the efferent ductules and in longitudinal sections collected from the partially unraveled efferent ductules. The extratesticular rete forms a 3-4-mm-long sac-like dilatation, which, within the head of the epididymis,(More)
The Polo-Like Kinase 1 (PLK1) acts as a central regulator of mitosis and is over-expressed in a wide range of human tumours where high levels of expression correlate with a poor prognosis. PLK1 comprises two structural elements, a kinase domain and a polo-box domain (PBD). The PBD binds phosphorylated substrates to control substrate phosphorylation by the(More)
To evaluate the long-held concept that acidic guanidines lack glycemic effects, guanidinoalkanoic acids and the biguanide metformin (positive control) were administered to KKAy mice, a model of noninsulin-dependent diabetes. Two acidic guanidines, 3-guanidinopropionic acid (3-GPA) and guanidinoacetic acid, decreased the plasma glucose level; other compounds(More)
Identification of a ligand binding site on a protein is pivotal to drug discovery. To date, no reliable and computationally feasible general approach to this problem has been published. Here we present an automated efficient method for determining binding sites on proteins for potential ligands without any a priori knowledge. Our method is based upon the(More)
The role of insulin resistance in the impaired glucose-stimulated insulin release of Zucker fatty rats was investigated using the insulin-sensitizing thiazolidinedione drug pioglitazone. Fatty rats had fasting hyperinsulinemia yet a blunted secretory response to intravenous glucose compared with lean age-matched controls. Islets from fatty rats secreted(More)
Editors Rational Drug Design With 55 Illustrations Springer CONTENTS Foreword v Preface vii PANEL DISCUSSIONS Important current problems in drug design that may be computationally tractable 1 Panelists: Modeling the effect of solvation on structure, reactivity, and partitioning of organic solutes: Utility in drug design 51 Candee C. A preliminary(More)