4,059 research outputs found
Author Peter FitzSimons speaking at the National Library of Australia, Canberra, 13 November 2012 /
No full textTitle from acquisitions documentation.; Part of the collection: Portraits of author Peter FitzSimons speaking at the National Library of Australia, Canberra, 13 November 2012.; Acquired in digital format; access copy available online.; Mode of access: Online.; Photographed by a staff member of the National Library of Australia
Dr. Craig Kinsley – Faculty Author Interview
No full textDr. Craig Kinsley, Professor of Psychology and co-author of Clinical Neuroscience, discusses this unique textbook that integrates neurobiological mechanisms of general health into the coverage of mental disorders. By using this resource, instructors can easily integrate principles of neuroscience into clinical, developmental, behavioral, cognitive, and social psychology. The second edition of Clinical Neuroscience will be published in early 2010
QCSPScore: a new scoring function for driving protein-ligand docking with quantitative chemical shifts perturbations
No full textThrough the use of information about the biological target structure, the optimization of potential drugs can be improved. In this work I have developed a procedure that uses the quantitative change in the chemical perturbations (CSP) in the protein from NMR experiments for driving protein-ligand docking. The approach is based on a hybrid scoring function (QCSPScore) which combines traditional DrugScore potentials, which describe the interaction between protein and ligand, with Kendall’s rank correlation coefficient, which evaluates docking poses in terms of their agreement with experimental CSP. Prediction of the CSP for a specific ligand pose is done efficiently with an empirical model, taking into account only ring current effects. QCSPScore has been implemented in the AutoDock software package. Compared to previous methods, this approach shows that the use of rank correlation coefficient is robust to outliers. In addition, the prediction of native-like complex geometries improved because the CSP are already being used during the docking process, and not only in a post-filtering setting for generated docking poses. Since the experimental information is guaranteed to be quantitatively used, CSP effectively contribute to align the ligand in the binding pocket. The first step in the development of QCSPScore was the analysis of 70 protein-ligand complexes for which reference CSP were computed. The success rate in the docking increased from 71% without involvement of CSP to 100% if CSP were considered at the highest weighting scheme. In a second step QCSPScore was used in re-docking three test cases, for which reference experimental CSP data was available. Without CSP, i.e. in the use of conventional DrugScore potentials, none of the three test cases could be successfully re-docked. The integration of CSP with the same weighting factor as described above resulted in all three cases successfully re-docked. For two of the three complexes, native-like solutions were only produced if CSP were considered.Conformational changes in the binding pockets of up to 2 Å RMSD did not affect the success of the docking. QCSPScore will be particularly interesting in difficult protein-ligand complexes. They are in particular those cases in which the shape of the binding pocket does not provide sufficient steric restraints such as in flat protein-protein interfaces and in the virtual screening of small chemical fragments.Durch die Verwendung von Information über die biologische Zielstruktur kann die Optimierung potentieller Wirkstoffe verbessert werden. Im Rahmen dieser Arbeit habe ich ein Verfahren entwickelt, das quantitativ die Veränderung der Chemischen Verschieben (CSP) im Protein aus NMR-Experimenten für das Protein-Ligand-Docking verwendet. Der Ansatz basiert auf einer Hybridbewertungsfunktion (QCSPScore) und kombiniert herkömmliche DrugScore-Potentiale, welche die Wechselwirkung zwischen Protein und Ligand beschreiben, mit dem Rangkorrelationskoeffizienten nach Kendall, der die Dockingposen hinsichtlich ihrer Übereinstimmung mit experimentellen CSP. Die Vorhersage der CSP für einen bestimmten Liganden geschieht effizient mit einem empirischen Modell, wobei nur Ringstromeffekte berücksichtigt werden. QCSPScore wurde in das AutoDock Softwarepaket implementiert. Im Vergleich zu früheren Verfahren zeigt dieser Ansatz, dass die Verwendung des Rangkorrelationskoeffizienten robuster ist gegenüber Ausreißern in den vorhergesagten CSP. Außerdem ist die Vorhersage nativ-ähnlicher Komplexgeometrien verbessert, da die CSP bereits während des Docking-Prozesses eingesetzt werden, und nicht erst in einem nachträglichen Filter für generierte Dockingposen. Da die experimentelle Informationen quantitativ benutzt werden wird sichergestellt, dass die CSP effektiv dazu beitragen, den Liganden in der Bindetasche auszurichten. Der erste Schritt bei der Entwicklung des QCSPScore war die Analyse von 70 Protein-Ligand-Komplexen, für die als Referenz CSP vorhergesagt wurden. Die Erfolgsrate im Docking erhöhte sich von 71 %, ohne Einbeziehung von CSP, auf 100 %, wenn CSP mit höchster Gewichtung mit einbezogen wurden. Die globale Optimierung auf der kombinierten Docking-Energiehyperfläche ist also erfolgreich. In einem zweiten Schritt wurde QCSPScore zum Docking dreier Testfälle verwendet, für die als Referenz experimentelle CSP zur Verfügung standen. Ohne CSP, d.h. bei der Verwendung von herkömmlichen DrugScore-Potentialen, konnte keiner der drei Testfälle erfolgreich gedockt werden. Die Einbeziehung von CSP mit dem selben hohen Gewichtungsfaktor wie oben führte in allen drei Fällen zu erfolgreichen Docking-Ergebnissen. Für zwei der drei Komplexe wurden zudem nur bei Einbeziehung der experimentellen Information nativ-ähnliche Geometrien vorhergesagt. Konformationelle Änderungen der Bindetasche bis zu 2 Å RMSD beeinträchtigen den Erfolg des Dockings nicht. Ich bin davon überzeugt, dass mein Verfahren besonders für Protein-Ligand-Komplexe interessant sein wird, für die die Vorhersage nativ-ähnlicher Komplexe bislang schwierig war. Das sind insbesondere solche Fälle, in denen die Form der Bindetasche zur Vorhersage des Komplexes nicht ausreichend, wie das bei flachen Protein-Protein-Wechselwirkungsregionen oder beim virtuellen Screening kleiner Fragmente der Fall ist
Professor Peter Singer speaking at the National Press Club Canberra, 11 February 2009 [picture] /
No full textTitle devised by cataloguer based on information from acquisitions documentation.; Part of the collection: Humanitarian author Professor Peter Singer at the National Press Club, Canberra, 11 February 2009.; Acquired in digital format; access copy available online.; Mode of access: Internet via World Wide Web.; Photographed by a staff member of the National Library of Australia, 2009
The cultivation of (difficult) surfaces or “I know that’s a tree”
No full textTo coincide with the exhibition Real Painting at the Castlefield Gallery in Manchester Craig Staff, author of After Modernist Painting: The History of a Contemporary Practice (2013), offered his response to the exhibition, considering it in relation to painting’s histories, theories and philosophies. From connections with the Renaissance and modernism, he will venture towards the means by which we might begin to think about, if not understand the works that make up Real Painting
Bringing Hidden Organizations Out of the Shadows: Introduction to the Special Issue
No full textThis introduction to the special issue describes hidden organizations, offers several reasons for the lack of research on these collectives, and explains how this collection of articles helps move us forward in efforts to empirically study hidden organizations. After providing background information on the history of this special issue, the five articles published here are described in terms of the type of collective examined, the theories and methods used, and the key research questions addressed. Three observations about the published pieces are made: being hidden requires communicative effort; hiddenness is usefully understood in terms of identity management; and any discussion of hidden organizations raises ethical considerations. The piece closes with acknowledgements and a call for continued conceptual/theoretical and empirical research into hidden organizations.This is an introduction to a special issue on Hidden Organizations edited by the author. Published online before print: July 19, 2015
First person - Craig Keenan
No full textABSTRACT
First Person is a series of interviews with the first authors of a selection of papers published in Disease Models & Mechanisms, helping early-career researchers promote themselves alongside their papers. Craig Keenan is first author on ‘Post-traumatic osteoarthritis development is not modified by postnatal chondrocyte deletion of Ccn2’, published in DMM. Craig conducted the research described in this article while a postdoctoral research associate in Dr Blandine Poulet's lab at the University of Liverpool, Liverpool, UK. He is now a lecturer in vertebrate physiology in the lab of Dr Jason Kirby at Liverpool John Moores University, Liverpool, UK, investigating the roles of cartilage and bone in the pathogenesis of degenerative joint disease.</jats:p
Lee Durkee in Conversation with Tin House Publisher Craig Popelars
No full textIn this session, hosted by Square Books, Lee Durkee, author of The Last Taxi Driver, talks about writing, driving a cab, UFOs, Bigfoot, and Shakespeare with Tin House publisher Craig Popelars
Ensemble docking into multiple crystallographically derived protein structures: an evaluation based on the statistical analysis of enrichments
No full textDocking into multiple receptor conformations (“ensemble docking”) has been proposed, and employed, in the hope that it may account for receptor flexibility in virtual screening and thus provide higher enrichments than docking into single rigid receptor structures. The statistical analyses presented in this paper provide quantitative evidence that in some cases docking into a crystallographically derived conformational ensemble does indeed yield better enrichment than docking into any of the individual members of the ensemble. However, these “successful” ensembles account for only a minority of those examined and it would not have been possible to prospectively predict their identity using only protein structural information. A more frequently observed outcome is that the ensemble enrichment is higher than the mean of the enrichments provided by its individual members. An additional and promising finding is that, if a set of known active compounds is available, an approach based on induced-fit docking appears to be a reliable way to construct ensembles which provide relatively high enrichments.<br/
Whittier House donor letter and list from Frederick P. Craig
No full textWhittier House scrapbooks document Whittier House programs, events, and anniversary celebrations through newspaper clippings, lecture fliers, newsletters, event programs, and ticket stubs. Newspaper clippings are primarily from the Jersey Journal. There is also Whittier House fundraising materials, including pamphlets, appeal letters, brochures, and postcards. The Whittier House Social Settlement, the first settlement house in New Jersey, was established in Jersey City, N.J. (Hudson County) in 1894. Founded by Cornelia Foster Bradford, who would remain with the organization as headworker until 1926, Whittier House was based on the settlement house, Toynbee Hall, in England. Whittier House provided various recreational and educational programs, along with much needed social services, for the immigrant populations of Jersey City. Many of these successful services were used as models for large-scale social reform movements through the state. In 1935, the Whittier House was taken over by the Boys' Club of Jersey City
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