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Gudrun Spitzer
Gudrun Spitzer
Universität Innsbruck
Bestätigte E-Mail-Adresse bei liedllab.org - Startseite
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Zitiert von
Zitiert von
Jahr
How to optimize shape-based virtual screening: choosing the right query and including chemical information
J Kirchmair, S Distinto, P Markt, D Schuster, GM Spitzer, KR Liedl, ...
Journal of chemical information and modeling 49 (3), 678-692, 2009
2192009
Identification of novel functional inhibitors of acid sphingomyelinase
J Kornhuber, M Muehlbacher, S Trapp, S Pechmann, A Friedl, M Reichel, ...
PloS one 6 (8), e23852, 2011
2102011
Qualitative prediction of blood–brain barrier permeability on a large and refined dataset
M Muehlbacher, GM Spitzer, KR Liedl, J Kornhuber
Journal of Computer-Aided Molecular Design 25, 1095-1106, 2011
1392011
The Protein Data Bank (PDB), its related services and software tools as key components for in silico guided drug discovery
J Kirchmair, P Markt, S Distinto, D Schuster, GM Spitzer, KR Liedl, ...
Journal of medicinal chemistry 51 (22), 7021-7040, 2008
1182008
Enhancing drug discovery through in silico screening: strategies to increase true positives retrieval rates
J Kirchmair, S Distinto, D Schuster, G Spitzer, T Langer, G Wolber
Current medicinal chemistry 15 (20), 2040-2053, 2008
1002008
Discovery of novel PPAR ligands by a virtual screening approach based on pharmacophore modeling, 3D shape, and electrostatic similarity screening
P Markt, RK Petersen, EN Flindt, K Kristiansen, J Kirchmair, G Spitzer, ...
Journal of medicinal chemistry 51 (20), 6303-6317, 2008
852008
Development of anti-viral agents using molecular modeling and virtual screening techniques
J Kirchmair, S Distinto, K Roman Liedl, P Markt, J Maria Rollinger, ...
Infectious Disorders-Drug Targets (Formerly Current Drug Targets-Infectious …, 2011
672011
One concept, three implementations of 3D pharmacophore-based virtual screening: distinct coverage of chemical search space
GM Spitzer, M Heiss, M Mangold, P Markt, J Kirchmair, G Wolber, ...
Journal of chemical information and modeling 50 (7), 1241-1247, 2010
622010
Cleavage entropy as quantitative measure of protease specificity
JE Fuchs, S von Grafenstein, RG Huber, MA Margreiter, GM Spitzer, ...
PLoS Computational Biology 9 (4), e1003007, 2013
582013
Discovery of Novel CB2 Receptor Ligands by a Pharmacophore-Based Virtual Screening Workflow
P Markt, C Feldmann, JM Rollinger, S Raduner, D Schuster, J Kirchmair, ...
Journal of medicinal chemistry 52 (2), 369-378, 2009
452009
DNA minor groove pharmacophores describing sequence specific properties
GM Spitzer, B Wellenzohn, C Laggner, T Langer, KR Liedl
Journal of chemical information and modeling 47 (4), 1580-1589, 2007
362007
Dynamic regulation of phenylalanine hydroxylase by simulated redox manipulation
JE Fuchs, RG Huber, S Von Grafenstein, HG Wallnoefer, GM Spitzer, ...
PLoS One 7 (12), e53005, 2012
342012
Discovery of novel cathepsin S inhibitors by pharmacophore-based virtual high-throughput screening
P Markt, C McGoohan, B Walker, J Kirchmair, C Feldmann, GD Martino, ...
Journal of chemical information and modeling 48 (8), 1693-1705, 2008
292008
Consideration of water and solvation effects in virtual screening
J Kirchmair, GM Spitzer, KR Liedl
Virtual screening: principles, challenges, and practical guidelines, 263-289, 2011
202011
Sequence‐Specific Positions of Water Molecules at the Interface between DNA and Minor Groove Binders
GM Spitzer, JE Fuchs, P Markt, J Kirchmair, B Wellenzohn, T Langer, ...
ChemPhysChem 9 (18), 2766-2771, 2008
192008
Minor groove binders and drugs targeting proteins cover complementary regions in chemical shape space
JE Fuchs, GM Spitzer, A Javed, A Biela, C Kreutz, B Wellenzohn, KR Liedl
Journal of chemical information and modeling 51 (9), 2223-2232, 2011
182011
Hydrogen-bonding patterns of minor groove-binder− DNA complexes reveal criteria for discovery of new scaffolds
GM Spitzer, B Wellenzohn, P Markt, J Kirchmair, T Langer, KR Liedl
Journal of chemical information and modeling 49 (4), 1063-1069, 2009
112009
Dynamic Regulation of Phenylalanine Hydroxylase by Simulated Redox Manipulation
RG Huber, GM Spitzer, D Fuchs
2012
Entropy and order parameters from ensembles generated by computer simulations
RG Huber, HG Wallnoefer, GM Spitzer, RT Kroemer, KR Liedl
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 241, 2011
2011
Optimized shape-focused virtual screening for enhanced enrichment rates
J Kirchmair, S Distinto, P Markt, D Schuster, GM Spitzer, KR Liedl, ...
Book of abstracts-7th European Workshop in Drug Design, 2009
2009
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