Proschak E - Search Results

1

Photosensitization enables Pauson-Khand-type reactions with nitrenes.

Li F, Zhu WF, Empel C, Datsenko O, Kumar A, Xu Y, Ehrler JHM, Atodiresei I, Knapp S, Mykhailiuk PK, Proschak E, Koenigs RM. Li F, et al. Among authors: proschak e. Science. 2024 Feb 2;383(6682):498-503. doi: 10.1126/science.adm8095. Epub 2024 Feb 1. Science. 2024. PMID: 38301027

2

Structure-based pharmacophore screening for natural-product-derived PPARgamma agonists.

Tanrikulu Y, Rau O, Schwarz O, Proschak E, Siems K, Müller-Kuhrt L, Schubert-Zsilavecz M, Schneider G. Tanrikulu Y, et al. Among authors: proschak e. Chembiochem. 2009 Jan 5;10(1):75-8. doi: 10.1002/cbic.200800520. Chembiochem. 2009. PMID: 19067454 No abstract available.

3

Shapelets: possibilities and limitations of shape-based virtual screening.

Proschak E, Rupp M, Derksen S, Schneider G. Proschak E, et al. J Comput Chem. 2008 Jan 15;29(1):108-14. doi: 10.1002/jcc.20770. J Comput Chem. 2008. PMID: 17516427

4

Kernel approach to molecular similarity based on iterative graph similarity.

Rupp M, Proschak E, Schneider G. Rupp M, et al. Among authors: proschak e. J Chem Inf Model. 2007 Nov-Dec;47(6):2280-6. doi: 10.1021/ci700274r. Epub 2007 Nov 7. J Chem Inf Model. 2007. PMID: 17985866

5

Form follows function: shape analysis of protein cavities for receptor-based drug design.

Weisel M, Proschak E, Kriegl JM, Schneider G. Weisel M, et al. Among authors: proschak e. Proteomics. 2009 Jan;9(2):451-9. doi: 10.1002/pmic.200800092. Proteomics. 2009. PMID: 19142949

6

The holistic integration of virtual screening in drug discovery.

Tanrikulu Y, Krüger B, Proschak E. Tanrikulu Y, et al. Among authors: proschak e. Drug Discov Today. 2013 Apr;18(7-8):358-64. doi: 10.1016/j.drudis.2013.01.007. Epub 2013 Jan 20. Drug Discov Today. 2013. PMID: 23340112 Review.

7

Nonacidic inhibitors of human microsomal prostaglandin synthase 1 (mPGES 1) identified by a multistep virtual screening protocol.

Rörsch F, Wobst I, Zettl H, Schubert-Zsilavecz M, Grösch S, Geisslinger G, Schneider G, Proschak E. Rörsch F, et al. Among authors: proschak e. J Med Chem. 2010 Jan 28;53(2):911-5. doi: 10.1021/jm9012505. J Med Chem. 2010. PMID: 20025212

8

Multitarget-Directed Ligands Combining Cholinesterase and Monoamine Oxidase Inhibition with Histamine H₃ R Antagonism for Neurodegenerative Diseases.

Bautista-Aguilera ÓM, Hagenow S, Palomino-Antolin A, Farré-Alins V, Ismaili L, Joffrin PL, Jimeno ML, Soukup O, Janočková J, Kalinowsky L, Proschak E, Iriepa I, Moraleda I, Schwed JS, Romero Martínez A, López-Muñoz F, Chioua M, Egea J, Ramsay RR, Marco-Contelles J, Stark H. Bautista-Aguilera ÓM, et al. Among authors: proschak e. Angew Chem Int Ed Engl. 2017 Oct 2;56(41):12765-12769. doi: 10.1002/anie.201706072. Epub 2017 Sep 1. Angew Chem Int Ed Engl. 2017. PMID: 28861918

9

Molecular query language (MQL)--a context-free grammar for substructure matching.

Proschak E, Wegner JK, Schüller A, Schneider G, Fechner U. Proschak E, et al. J Chem Inf Model. 2007 Mar-Apr;47(2):295-301. doi: 10.1021/ci600305h. J Chem Inf Model. 2007. PMID: 17381167

10

Homology model adjustment and ligand screening with a pseudoreceptor of the human histamine H4 receptor.

Tanrikulu Y, Proschak E, Werner T, Geppert T, Todoroff N, Klenner A, Kottke T, Sander K, Schneider E, Seifert R, Stark H, Clark T, Schneider G. Tanrikulu Y, et al. Among authors: proschak e. ChemMedChem. 2009 May;4(5):820-7. doi: 10.1002/cmdc.200800443. ChemMedChem. 2009. PMID: 19343764

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