نتایج جستجو برای: molecular screening

تعداد نتایج: 847376  

Journal: :Acta Crystallographica Section A Foundations of Crystallography 2009

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Journal: :Nature Medicine 2012

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2012
Simone Fulle M. Stuart Armstrong Paul W. Finn Garrett M. Morris

A wide variety of structureand ligand-based virtual screening approaches have been developed that aim at finding potential leads to initiate drug discovery efforts. Since each method has its strengths and weakness, combining the outcome of different structureand ligandbased approaches can be expected to decrease the number of false positive predictions. However, a reliable fusion of information...

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2011
Thomas E. Exner Karin Hauser Tim ten Brink

Contents 1. Introduction 1 1.

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2015
Dario Corradini Damien Dambournet Mathieu Salanne

A highly fluorinated anatase lattice has been recently reported, providing a new class of materials whose general chemical formula is Ti(1-x)□(x)X(4x)O(2-4x) (X(-) = F(-) or OH(-)). To characterise the complex structural features of the material and the different F environments, we here apply a computational screening procedure. After deriving a polarisable force-field from DFT simulations, we ...

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2010
Jonas Hugosson Sigrid Carlsson Gunnar Aus Svante Bergdahl Ali Khatami Pär Lodding Carl-Gustaf Pihl Johan Stranne Erik Holmberg Hans Lilja

Department of Urology (Prof J Hugosson MD, S Carlsson MD, G Aus MD, S Bergdahl MD, A Khatami MD, P Lodding MD, J Stranne MD), and Oncology (E Holmberg PhD), Institute of Clinical Sciences, Sahlgrenska Academy at University of Göteborg, Sweden; Department of Pathology, Institute of Biomedicine, Sahlgrenska Academy at University of Göteborg, Sweden (C G Pihl MD); Department of Laboratory Medicine...

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2012
Peter-Paul Heym Wolfgang Brandt Ludger A. Wessjohann Hans-Joachim Niclas

The functions of Poly(ADP-ribose) polymerase enzymes (PARPs) in general are best studied based on human PARP-1 (HsPARP-1). HsPARP-1 is well investigated because pharmacological modulation of its activity modulates DNA-binding of antitumor drugs [1]. In contrast to human PARP enzymes, the exact role of PARPs in plants remains to be elucidated. Different stresses activate plant PARP enzymes to me...

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Journal: :Reproductive Medicine and Biology 2015

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Journal: :Haigan 2005

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Journal: :The Journal of Physical Chemistry Letters 2017

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