Markus Wagener
Grünenthal Group (Germany)(DE)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Analytical Chemistry and Chromatography, Chemical Synthesis and Analysis, Receptor Mechanisms and Signaling, Protein Structure and Dynamics
Most-Cited Works
- → Autocorrelation of Molecular Surface Properties for Modeling Corticosteroid Binding Globulin and Cytosolic Ah Receptor Activity by Neural Networks(1995)320 cited
- → A Flexible Approach to Induced Fit Docking(2007)175 cited
- → SyGMa: Combining Expert Knowledge and Empirical Scoring in the Prediction of Metabolites(2008)173 cited
- → Locating Biologically Active Compounds in Medium-Sized Heterogeneous Datasets by Topological Autocorrelation Vectors: Dopamine and Benzodiazepine Agonists(1996)137 cited
- → Potential Drugs and Nondrugs: Prediction and Identification of Important Structural Features(2000)136 cited
- → Pharmacophore Fingerprint-Based Approach to Binding Site Subpocket Similarity and Its Application to Bioisostere Replacement(2012)106 cited
- → The comparison of geometric and electronic properties of molecular surfaces by neural networks: Application to the analysis of corticosteroid-binding globulin activity of steroids(1996)91 cited
- → Superposition of Three-Dimensional Chemical Structures Allowing for Conformational Flexibility by a Hybrid Method(1998)89 cited
- → The Quest for Bioisosteric Replacements(2006)79 cited
- → Assessing Similarity and Diversity of Combinatorial Libraries by Spatial Autocorrelation Functions and Neural Networks(1996)74 cited