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Disambiguation of "Kirchmair, Johannes"

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High-Quality Dataset of Protein-Bound Ligand Conformations and Its Application to Benchmarking Conformer Ensemble Generators.

, , , , , , and . Journal of Chemical Information and Modeling, 57 (3): 529-539 (2017)

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Gerda Kirchmair

Clemens Kirchmair

Lando Kirchmair

Bernhard Kirchmair

Dagmar Kirchmair

 

Other publications of authors with the same name

High-Quality Dataset of Protein-Bound Ligand Conformations and Its Application to Benchmarking Conformer Ensemble Generators., , , , , , and . Journal of Chemical Information and Modeling, 57 (3): 529-539 (2017)Predicting drug metabolism: experiment and/or computation?, , , , , , , and . Nature Reviews Drug Discovery, 14 (6): 387--404 (Apr 24, 2015)Cytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiers., , , , and . J. Cheminformatics, 6 (1): 29 (2014)Characterization of the Chemical Space of Known and Readily Obtainable Natural Products., , , and . J. Chem. Inf. Model., 58 (8): 1518-1532 (2018)Scope of 3D Shape-Based Approaches in Predicting the Macromolecular Targets of Structurally Complex Small Molecules Including Natural Products and Macrocyclic Ligands., , and . J. Chem. Inf. Model., 60 (6): 2858-2875 (2020)Alignment-Based Prediction of Sites of Metabolism., , and . J. Chem. Inf. Model., 57 (6): 1258-1264 (June 2017)Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection - What can we learn from earlier mistakes?, , , , and . J. Comput. Aided Mol. Des., 22 (3-4): 213-228 (2008)Quantifying the shifts in physicochemical property space introduced by the metabolism of small organic molecules., , , , , , , , , and 1 other author(s). J. Cheminformatics, 5 (S-1): 12 (2013)Critical Comparison of Virtual Screening Methods against the MUV Data Set., , , , , , and . Journal of Chemical Information and Modeling, 49 (10): 2168-2178 (2009)Comparative Analysis of Protein-Bound Ligand Conformations with Respect to Catalyst's Conformational Space Subsampling Algorithms., , , and . Journal of Chemical Information and Modeling, 45 (2): 422-430 (2005)