Klebe G - Search Results

1

Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.

Weber A, Casini A, Heine A, Kuhn D, Supuran CT, Scozzafava A, Klebe G. Weber A, et al. Among authors: klebe g. J Med Chem. 2004 Jan 29;47(3):550-7. doi: 10.1021/jm030912m. J Med Chem. 2004. PMID: 14736236

2

FLEXS: a method for fast flexible ligand superposition.

Lemmen C, Lengauer T, Klebe G. Lemmen C, et al. Among authors: klebe g. J Med Chem. 1998 Nov 5;41(23):4502-20. doi: 10.1021/jm981037l. J Med Chem. 1998. PMID: 9804690

3

Three-dimensional quantitative structure-activity relationship analyses using comparative molecular field analysis and comparative molecular similarity indices analysis to elucidate selectivity differences of inhibitors binding to trypsin, thrombin, and factor Xa.

Böhm M, St rzebecher J, Klebe G. Böhm M, et al. Among authors: klebe g. J Med Chem. 1999 Feb 11;42(3):458-77. doi: 10.1021/jm981062r. J Med Chem. 1999. PMID: 9986717

4

Development of new hydrogen-bond descriptors and their application to comparative molecular field analyses.

Böhm M, Klebe G. Böhm M, et al. Among authors: klebe g. J Med Chem. 2002 Apr 11;45(8):1585-97. doi: 10.1021/jm011039x. J Med Chem. 2002. PMID: 11931613

5

Nonaromatic sulfonamide group as an ideal anchor for potent human carbonic anhydrase inhibitors: role of hydrogen-bonding networks in ligand binding and drug design.

Abbate F, Supuran CT, Scozzafava A, Orioli P, Stubbs MT, Klebe G. Abbate F, et al. Among authors: klebe g. J Med Chem. 2002 Aug 15;45(17):3583-7. doi: 10.1021/jm011131t. J Med Chem. 2002. PMID: 12166931

6

Successful virtual screening for novel inhibitors of human carbonic anhydrase: strategy and experimental confirmation.

Grüneberg S, Stubbs MT, Klebe G. Grüneberg S, et al. Among authors: klebe g. J Med Chem. 2002 Aug 15;45(17):3588-602. doi: 10.1021/jm011112j. J Med Chem. 2002. PMID: 12166932

7

DrugScore meets CoMFA: adaptation of fields for molecular comparison (AFMoC) or how to tailor knowledge-based pair-potentials to a particular protein.

Gohlke H, Klebe G. Gohlke H, et al. Among authors: klebe g. J Med Chem. 2002 Sep 12;45(19):4153-70. doi: 10.1021/jm020808p. J Med Chem. 2002. PMID: 12213058

8

A new method to detect related function among proteins independent of sequence and fold homology.

Schmitt S, Kuhn D, Klebe G. Schmitt S, et al. Among authors: klebe g. J Mol Biol. 2002 Oct 18;323(2):387-406. doi: 10.1016/s0022-2836(02)00811-2. J Mol Biol. 2002. PMID: 12381328

9

Virtual screening for submicromolar leads of tRNA-guanine transglycosylase based on a new unexpected binding mode detected by crystal structure analysis.

Brenk R, Naerum L, Grädler U, Gerber HD, Garcia GA, Reuter K, Stubbs MT, Klebe G. Brenk R, et al. Among authors: klebe g. J Med Chem. 2003 Mar 27;46(7):1133-43. doi: 10.1021/jm0209937. J Med Chem. 2003. PMID: 12646024

10

Flexible adaptations in the structure of the tRNA-modifying enzyme tRNA-guanine transglycosylase and their implications for substrate selectivity, reaction mechanism and structure-based drug design.

Brenk R, Stubbs MT, Heine A, Reuter K, Klebe G. Brenk R, et al. Among authors: klebe g. Chembiochem. 2003 Oct 6;4(10):1066-77. doi: 10.1002/cbic.200300644. Chembiochem. 2003. PMID: 14523925

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