Markus Wagener

Grünenthal Group (Germany) — Germany

Computer Science · Physical Sciences

17h-index1.7kcitations47works5.02yr avg
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Research Topics

Computational Drug Discovery Methods(32), Analytical Chemistry and Chromatography(10), Chemical Synthesis and Analysis(10), Receptor Mechanisms and Signaling(6), Protein Structure and Dynamics(5)

Publications47 total

The European Lead Factory: Results from a decade of collaborative, public–private, drug discovery programs
Drug Discovery Today·2024· 5 citedOpen Access
Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors
Journal of Medicinal Chemistry·2020· 11 cited
Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors
Journal of Medicinal Chemistry·2019· 16 cited
SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 4
2018
SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 3
2018· 5 citedOpen Access
SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 2
2018
Structural Determinants for the Binding of Morphinan Agonists to the μ-Opioid Receptor
PLoS ONE·2015· 24 citedOpen Access
10th ICCS/GCC Conference: 40 Years of Cheminformatics
Journal of Chemical Information and Modeling·2015· 1 cited
Pharmacophore Fingerprint-Based Approach to Binding Site Subpocket Similarity and Its Application to Bioisostere Replacement
Journal of Chemical Information and Modeling·2012· 105 cited
Flexible protein‐ligand docking using the Fleksy protocol
Journal of Computational Chemistry·2012· 15 citedOpen Access
Revisiting the Rule of Five on the Basis of Pharmacokinetic Data from Rat
ChemMedChem·2011· 17 cited
Cover Picture: From Activity Cliffs to Target‐Specific Scoring Models and Pharmacophore Hypotheses (ChemMedChem 9/2011)
ChemMedChem·2011· 1 citedOpen Access
From Activity Cliffs to Target‐Specific Scoring Models and Pharmacophore Hypotheses
ChemMedChem·2011· 44 cited
Extraction of useful bioisostere replacments from the PDB
Journal of Cheminformatics·2011· 1 citedOpen Access
Fleksy: a flexible approach to induced fit docking
Journal of Cheminformatics·2010· 3 citedOpen Access
Consola de control DMX512: configurada gráficamente gracias al controlador PSoC
Elektor: revista internacional de electrónica y ordenadores·2010
SyGMa: Combining Expert Knowledge and Empirical Scoring in the Prediction of Metabolites
ChemMedChem·2008· 158 cited
A Flexible Approach to Induced Fit Docking
Journal of Medicinal Chemistry·2007· 173 cited
Seventh International Conference on Chemical Structures June 5−9, 2005 Noordwijkerhout, The Netherlands
Journal of Chemical Information and Modeling·2006
The Quest for Bioisosteric Replacements
Journal of Chemical Information and Modeling·2006· 79 cited
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Frequent Co-authors

Johann Gasteiger(21), Jens Sadowski(12), Soheila Anzali(5), Markus Schade(5), Jacob de Vlieg(4), Andreas Zell(4), Paul Levi(4), Gerhard Barnickel(4), Michael Krug(4), Sandra Handschuh(4), Ulrike Holzgrabe(4), Jo Alen(4), Henri Bauknecht(3), Jarosław Polański(3), Matthias Rarey(3), Sander B. Nabuurs(2), Lars Ridder(2), Harald Bayer(2), V. J. van Geerestein(2), Tina Ritschel(2)