PubRank

Christian Laggner

Author PubWeight™ 41.81‹?›

Top papers

Rank Title Journal Year PubWeight™‹?›
1 Predicting new molecular targets for known drugs. Nature 2009 9.71
2 Rapid behavior-based identification of neuroactive small molecules in the zebrafish. Nat Chem Biol 2010 2.87
3 Quantifying biogenic bias in screening libraries. Nat Chem Biol 2009 1.66
4 In silico molecular comparisons of C. elegans and mammalian pharmacology identify distinct targets that regulate feeding. PLoS Biol 2013 1.47
5 Comparative performance assessment of the conformational model generators omega and catalyst: a large-scale survey on the retrieval of protein-bound ligand conformations. J Chem Inf Model 2006 1.44
6 Synthesis and biological evaluation of the 1-arylpyrazole class of σ(1) receptor antagonists: identification of 4-{2-[5-methyl-1-(naphthalen-2-yl)-1H-pyrazol-3-yloxy]ethyl}morpholine (S1RA, E-52862). J Med Chem 2012 1.43
7 Structure-activity relationship of S-trityl-L-cysteine analogues as inhibitors of the human mitotic kinesin Eg5. J Med Chem 2008 1.04
8 Pharmacophore modeling and in silico screening for new P450 19 (aromatase) inhibitors. J Chem Inf Model 2006 0.98
9 Comparative analysis of protein-bound ligand conformations with respect to catalyst's conformational space subsampling algorithms. J Chem Inf Model 2005 0.97
10 Discovery of novel PPAR ligands by a virtual screening approach based on pharmacophore modeling, 3D shape, and electrostatic similarity screening. J Med Chem 2008 0.95
11 The discovery of new 11beta-hydroxysteroid dehydrogenase type 1 inhibitors by common feature pharmacophore modeling and virtual screening. J Med Chem 2006 0.94
12 Pharmacophore modeling and parallel screening for PPAR ligands. J Comput Aided Mol Des 2007 0.93
13 Generation of a homology model of the human histamine H(3) receptor for ligand docking and pharmacophore-based screening. J Comput Aided Mol Des 2007 0.92
14 Parallel screening: a novel concept in pharmacophore modeling and virtual screening. J Chem Inf Model 2006 0.90
15 Fast and efficient in silico 3D screening: toward maximum computational efficiency of pharmacophore-based and shape-based approaches. J Chem Inf Model 2007 0.88
16 High-throughput structure-based pharmacophore modelling as a basis for successful parallel virtual screening. J Comput Aided Mol Des 2006 0.87
17 Structure-activity relationship and multidrug resistance study of new S-trityl-L-cysteine derivatives as inhibitors of Eg5. J Med Chem 2011 0.84
18 The UV-filter benzophenone-1 inhibits 17beta-hydroxysteroid dehydrogenase type 3: Virtual screening as a strategy to identify potential endocrine disrupting chemicals. Biochem Pharmacol 2009 0.83
19 DNA minor groove pharmacophores describing sequence specific properties. J Chem Inf Model 2007 0.83
20 Discovery of novel cathepsin S inhibitors by pharmacophore-based virtual high-throughput screening. J Chem Inf Model 2008 0.82
21 5-Arylidene-2-phenylimino-4-thiazolidinones as PTP1B and LMW-PTP inhibitors. Bioorg Med Chem 2009 0.81
22 Discovery of novel CB2 receptor ligands by a pharmacophore-based virtual screening workflow. J Med Chem 2009 0.81
23 Identification of chemically diverse, novel inhibitors of 17β-hydroxysteroid dehydrogenase type 3 and 5 by pharmacophore-based virtual screening. J Steroid Biochem Mol Biol 2011 0.81
24 Synthesis, activity and molecular modeling of a new series of chromones as low molecular weight protein tyrosine phosphatase inhibitors. Bioorg Med Chem 2009 0.80
25 Discovery of nonsteroidal 17beta-hydroxysteroid dehydrogenase 1 inhibitors by pharmacophore-based screening of virtual compound libraries. J Med Chem 2008 0.80
26 Development and validation of an in silico P450 profiler based on pharmacophore models. Curr Drug Discov Technol 2006 0.80
27 Structure-based optimization of benzoic acids as inhibitors of protein tyrosine phosphatase 1B and low molecular weight protein tyrosine phosphatase. ChemMedChem 2009 0.79
28 Synthesis, induced-fit docking investigations, and in vitro aldose reductase inhibitory activity of non-carboxylic acid containing 2,4-thiazolidinedione derivatives. Bioorg Med Chem 2008 0.78
29 Parallel screening and activity profiling with HIV protease inhibitor pharmacophore models. J Chem Inf Model 2007 0.77
30 Design, synthesis, and SAR analysis of novel selective sigma1 ligands. Bioorg Med Chem 2006 0.77
31 Structure-activity relationships and molecular docking of novel dihydropyrimidine-based mitotic Eg5 inhibitors. ChemMedChem 2010 0.76
32 Human rhinovirus 3C protease: generation of pharmacophore models for peptidic and nonpeptidic inhibitors and their application in virtual screening. J Chem Inf Model 2005 0.76
33 Carbamoylation abrogates the antioxidant potential of hydrogen sulfide. Biochimie 2013 0.76
34 Applications of integrated data mining methods to exploring natural product space for acetylcholinesterase inhibitors. Comb Chem High Throughput Screen 2010 0.75
35 Ask the experts: focus on computational chemistry. Future Med Chem 2011 0.75
36 Design, synthesis and SAR analysis of novel selective sigma1 ligands (Part 2). Bioorg Med Chem 2009 0.75
37 Influence of the conditions in pharmacophore generation, scoring, and 3D database search for chemical feature-based pharmacophore models: one application study of ETA- and ETB-selective antagonists. J Chem Inf Model 2006 0.75