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List of works by Markus Wagener

10th ICCS/GCC Conference: 40 Years of Cheminformatics

scientific article published on 22 June 2015

A flexible approach to induced fit docking

scientific article

Assessing Similarity and Diversity of Combinatorial Libraries by Spatial Autocorrelation Functions and Neural Networks

Autocorrelation of Molecular Surface Properties for Modeling Corticosteroid Binding Globulin and Cytosolic Ah Receptor Activity by Neural Networks

article

Extraction of useful bioisostere replacments from the PDB.

scientific article published on 19 April 2011

Fleksy: a flexible approach to induced fit docking.

scientific article published on 4 May 2010

From activity cliffs to target-specific scoring models and pharmacophore hypotheses

scientific article

Pharmacophore fingerprint-based approach to binding site subpocket similarity and its application to bioisostere replacement

scientific article published on 16 August 2012

Potential drugs and nondrugs: prediction and identification of important structural features

scientific article

Revisiting the rule of five on the basis of pharmacokinetic data from rat.

scientific article

Seventh International Conference on Chemical Structures June 5−9, 2005 Noordwijkerhout, The Netherlands

scientific article published in March 2006

The comparison of geometric and electronic properties of molecular surfaces by neural networks: application to the analysis of corticosteroid-binding globulin activity of steroids.

scientific article published in December 1996

The quest for bioisosteric replacements.

scientific article published in March 2006

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