Klebe G - Search Results

1

fconv: Format conversion, manipulation and feature computation of molecular data.

Neudert G, Klebe G. Neudert G, et al. Among authors: klebe g. Bioinformatics. 2011 Apr 1;27(7):1021-2. doi: 10.1093/bioinformatics/btr055. Epub 2011 Feb 18. Bioinformatics. 2011. PMID: 21335612

2

Different approaches toward an automatic structural alignment of drug molecules: applications to sterol mimics, thrombin and thermolysin inhibitors.

Klebe G, Mietzner T, Weber F. Klebe G, et al. J Comput Aided Mol Des. 1994 Dec;8(6):751-78. doi: 10.1007/BF00124019. J Comput Aided Mol Des. 1994. PMID: 7738608

3

Knowledge-based scoring function to predict protein-ligand interactions.

Gohlke H, Hendlich M, Klebe G. Gohlke H, et al. Among authors: klebe g. J Mol Biol. 2000 Jan 14;295(2):337-56. doi: 10.1006/jmbi.1999.3371. J Mol Biol. 2000. PMID: 10623530

4

Simple knowledge-based descriptors to predict protein-ligand interactions. methodology and validation.

Nissink JWM, Verdonk ML, Klebe G. Nissink JWM, et al. Among authors: klebe g. J Comput Aided Mol Des. 2000 Nov;14(8):787-803. doi: 10.1023/a:1008109717641. J Comput Aided Mol Des. 2000. PMID: 11131970

5

Docking ligands onto binding site representations derived from proteins built by homology modelling.

Schafferhans A, Klebe G. Schafferhans A, et al. Among authors: klebe g. J Mol Biol. 2001 Mar 16;307(1):407-27. doi: 10.1006/jmbi.2000.4453. J Mol Biol. 2001. PMID: 11243828

6

Statistical potentials and scoring functions applied to protein-ligand binding.

Gohlke H, Klebe G. Gohlke H, et al. Among authors: klebe g. Curr Opin Struct Biol. 2001 Apr;11(2):231-5. doi: 10.1016/s0959-440x(00)00195-0. Curr Opin Struct Biol. 2001. PMID: 11297933 Review.

7

Transport of peptidomimetic thrombin inhibitors with a 3-amidino-phenylalanine structure: permeability and efflux mechanism in monolayers of a human intestinal cell line (Caco-2).

Kamm W, Hauptmann J, Behrens I, Stürzebecher J, Dullweber F, Gohlke H, Stubbs M, Klebe G, Kissel T. Kamm W, et al. Among authors: klebe g. Pharm Res. 2001 Aug;18(8):1110-8. doi: 10.1023/a:1010966708181. Pharm Res. 2001. PMID: 11587481

8

Crystal structure of 1-deoxy-D-xylulose-5-phosphate reductoisomerase, a crucial enzyme in the non-mevalonate pathway of isoprenoid biosynthesis.

Reuter K, Sanderbrand S, Jomaa H, Wiesner J, Steinbrecher I, Beck E, Hintz M, Klebe G, Stubbs MT. Reuter K, et al. Among authors: klebe g. J Biol Chem. 2002 Feb 15;277(7):5378-84. doi: 10.1074/jbc.M109500200. Epub 2001 Dec 7. J Biol Chem. 2002. PMID: 11741911

9

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

10

Identification and mapping of small-molecule binding sites in proteins: computational tools for structure-based drug design.

Sotriffer C, Klebe G. Sotriffer C, et al. Among authors: klebe g. Farmaco. 2002 Mar;57(3):243-51. doi: 10.1016/s0014-827x(02)01211-9. Farmaco. 2002. PMID: 11989803 Review.

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