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Disambiguation of "Kirchmair, Johannes"

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FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes.

, , , , , , , , and . J. Chem. Inf. Model., 59 (8): 3400-3412 (2019)

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Gerda Kirchmair

Clemens Kirchmair

Lando Kirchmair

Bernhard Kirchmair

Dagmar Kirchmair

 

Other publications of authors with the same name

Cytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiers., , , , and . J. Cheminformatics, 6 (1): 29 (2014)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)Alignment-Based Prediction of Sites of Metabolism., , and . J. Chem. Inf. Model., 57 (6): 1258-1264 (June 2017)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)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)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)Fast and Efficient in Silico 3D Screening: Toward Maximum Computational Efficiency of Pharmacophore-Based and Shape-Based Approaches., , , , , , and . Journal of Chemical Information and Modeling, 47 (6): 2182-2196 (2007)Conformator: A Novel Method for the Generation of Conformer Ensembles., , , , , and . J. Chem. Inf. Model., 59 (2): 731-742 (2019)