Markus Wagener - researchr alias

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Viewing Publication 1 - 13 from 13

2015

10th ICCS/GCC Conference: 40 Years of CheminformaticsMarkus Wagener, Frank Oellien, Uli Fechner, Matthias Rarey. jcisd, 55(6):1087, 2015. [doi]

2012

Flexible protein-ligand docking using the Fleksy protocolMarkus Wagener, Jacob de Vlieg, Sander B. Nabuurs. jcc, 33(12):1215-1217, 2012. [doi]

Pharmacophore Fingerprint-Based Approach to Binding Site Subpocket Similarity and Its Application to Bioisostere ReplacementDavid J. Wood, Jacob de Vlieg, Markus Wagener, Tina Ritschel. jcisd, 52(8):2031-2043, 2012. [doi]

2011

Extraction of useful bioisostere replacments from the PDBTina Ritschel, David J. Wood, Jacob de Vlieg, Markus Wagener. jcheminf, 3(S-1):37, 2011. [doi]

2010

Fleksy: a flexible approach to induced fit dockingMarkus Wagener, Sander B. Nabuurs, Jacob de Vlieg. jcheminf, 2(S-1):24, 2010. [doi]

2006

Seventh International Conference on Chemical Structures June 5-9, 2005 Noordwijkerhout, The NetherlandsRobert W. Snyder, Markus Wagener. jcisd, 46(2):451, 2006. [doi]

The Quest for Bioisosteric ReplacementsMarkus Wagener, Jos P. M. Lommerse. jcisd, 46(2):677-685, 2006. [doi]

2000

Potential Drugs and Nondrugs: Prediction and Identification of Important Structural FeaturesMarkus Wagener, Vincent J. van Geerestein. jcisd, 40(2):280-292, 2000. [doi]

1998

Superposition of Three-Dimensional Chemical Structures Allowing for Conformational Flexibility by a Hybrid MethodSandra Handschuh, Markus Wagener, Johann Gasteiger. jcisd, 38(2):220-232, 1998. [doi]

1996

The comparison of geometric and electronic properties of molecular surfaces by neural networks: Application to the analysis of corticosteroid-binding globulin activity of steroidsSoheila Anzali, Gerhard Barnickel, Michael Krug, Jens Sadowski, Markus Wagener, Johann Gasteiger, Jaroslaw Polanski. jcamd, 10(6):521-534, 1996.

Locating Biologically Active Compounds in Medium-Sized Heterogeneous Datasets by Topological Autocorrelation Vectors: Dopamine and Benzodiazepine AgonistsHenri Bauknecht, Andreas Zell, Harald Bayer, Paul Levi, Markus Wagener, Jens Sadowski, Johann Gasteiger. jcisd, 36(6):1205-1213, 1996. [doi]

A Systemsatic Approach to Finding New Lead Structures Having Biological ActivityC. H. Schwab, Sandra Handschuh, Andreas Teckentrup, Markus Wagener, Jens Sadowski, Johann Gasteiger, Paul Levi, T. Will, Andreas Zell, H. Siemens, Gerhard Klebe, Thomas Mietzner, Frank Weber, Gerhard Barnickel, Scheila Anzali, Michael Krug. gcb 1997: 166-177

1993

Bestimmung molekularer Ähnlichkeit mit Hilfe eines Genetischen AlgorithmusMarkus Wagener. PhD thesis, Technical University Munich, Germany, 1993. [doi]

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