Johannes Kirchmair

Author Info

Name	Affiliation	Papers
JOHANNES KIRCHMAIR	Univ Innsbruck, Dept Pharmaceut Chem, Inst Pharm, A-6020 Innsbruck, Austria	25
Collaborators	Citations	PageRank
61	216	42.23
Referers	Referees	References
637	559	158

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100637

Publications (25 rows)

Collaborators (61 rows)

Referers (100 rows)

Referees (100 rows)

Title	Citations	PageRank	Year
Scope of 3D Shape-Based Approaches in Predicting the Macromolecular Targets of Structurally Complex Small Molecules Including Natural Products and Macrocyclic Ligands.	0	0.34	2020
Validation strategies for target prediction methods	1	0.35	2020
Validation strategies for target prediction methods	1	0.35	2020
NERDD: a web portal providing access to in silico tools for drug discovery	1	0.37	2020
Hit Dexter 2.0: Machine-Learning Models for the Prediction of Frequent Hitters.	1	0.35	2019
Conformator: A Novel Method for the Generation of Conformer Ensembles.	1	0.35	2019
FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes.	2	0.39	2019
Characterization of the Chemical Space of Known and Readily Obtainable Natural Products.	0	0.34	2018
High-Quality Dataset of Protein-Bound Ligand Conformations and Its Application to Benchmarking Conformer Ensemble Generators.	3	0.66	2017
Cytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiers.	6	0.52	2014
How Do Metabolites Differ from Their Parent Molecules and How Are They Excreted?	2	0.40	2013
Quantifying the shifts in physicochemical property space introduced by the metabolism of small organic molecules.	0	0.34	2013
FAst MEtabolizer (FAME): A Rapid and Accurate Predictor of Sites of Metabolism in Multiple Species by Endogenous Enzymes.	1	0.36	2013
Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms.	23	1.56	2012
One Concept, Three Implementations of 3D Pharmacophore-Based Virtual Screening: Distinct Coverage of Chemical Search Space.	11	0.97	2010
Hydrogen-Bonding Patterns of Minor Groove-Binder-DNA Complexes Reveal Criteria for Discovery of New Scaffolds.	1	0.38	2009
Critical Comparison of Virtual Screening Methods against the MUV Data Set.	9	0.60	2009
How to optimize shape-based virtual screening: choosing the right query and including chemical information.	37	1.32	2009
Discovery of Novel Cathepsin S Inhibitors by Pharmacophore-Based Virtual High-Throughput Screening.	2	0.42	2008
Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection—What can we learn from earlier mistakes?	43	2.24	2008
Fast and Efficient in Silico 3D Screening: Toward Maximum Computational Efficiency of Pharmacophore-Based and Shape-Based Approaches.	11	0.62	2007
CAESAR: a new conformer generation algorithm based on recursive buildup and local rotational symmetry consideration.	5	0.43	2007
Pharmacophore modeling and parallel screening for PPAR ligands.	4	0.79	2007
Comparative performance assessment of the conformational model generators omega and catalyst: a large-scale survey on the retrieval of protein-bound ligand conformations.	32	14.46	2006
Comparative Analysis of Protein-Bound Ligand Conformations with Respect to Catalyst's Conformational Space Subsampling Algorithms.	19	13.33	2005