Klebe G - Search Results

1

The potential of P1 site alterations in peptidomimetic protease inhibitors as suggested by virtual screening and explored by the use of C-C-coupling reagents.

Weik S, Luksch T, Evers A, Böttcher J, Sotriffer CA, Hasilik A, Löffler HG, Klebe G, Rademann J. Weik S, et al. Among authors: klebe g. ChemMedChem. 2006 Apr;1(4):445-57. doi: 10.1002/cmdc.200500027. ChemMedChem. 2006. PMID: 16892380

2

Docking into knowledge-based potential fields: a comparative evaluation of DrugScore.

Sotriffer CA, Gohlke H, Klebe G. Sotriffer CA, et al. Among authors: klebe g. J Med Chem. 2002 May 9;45(10):1967-70. doi: 10.1021/jm025507u. J Med Chem. 2002. PMID: 11985464

3

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.

4

Ligand-supported homology modelling of protein binding-sites using knowledge-based potentials.

Evers A, Gohlke H, Klebe G. Evers A, et al. Among authors: klebe g. J Mol Biol. 2003 Nov 21;334(2):327-45. doi: 10.1016/j.jmb.2003.09.032. J Mol Biol. 2003. PMID: 14607122

5

Ligand-supported homology modeling of g-protein-coupled receptor sites: models sufficient for successful virtual screening.

Evers A, Klebe G. Evers A, et al. Among authors: klebe g. Angew Chem Int Ed Engl. 2004 Jan;43(2):248-51. doi: 10.1002/anie.200352776. Angew Chem Int Ed Engl. 2004. PMID: 14695622 No abstract available.

6

Strategies for the design of inhibitors of aldose reductase, an enzyme showing pronounced induced-fit adaptations.

Klebe G, Krämer O, Sotriffer C. Klebe G, et al. Cell Mol Life Sci. 2004 Apr;61(7-8):783-93. doi: 10.1007/s00018-003-3406-z. Cell Mol Life Sci. 2004. PMID: 15095003 Free PMC article. Review.

7

Probing flexibility and "induced-fit" phenomena in aldose reductase by comparative crystal structure analysis and molecular dynamics simulations.

Sotriffer CA, Krämer O, Klebe G. Sotriffer CA, et al. Among authors: klebe g. Proteins. 2004 Jul 1;56(1):52-66. doi: 10.1002/prot.20021. Proteins. 2004. PMID: 15162486

8

Successful virtual screening for a submicromolar antagonist of the neurokinin-1 receptor based on a ligand-supported homology model.

Evers A, Klebe G. Evers A, et al. Among authors: klebe g. J Med Chem. 2004 Oct 21;47(22):5381-92. doi: 10.1021/jm0311487. J Med Chem. 2004. PMID: 15481976

9

An old target revisited: two new privileged skeletons and an unexpected binding mode for HIV-protease inhibitors.

Specker E, Böttcher J, Lilie H, Heine A, Schoop A, Müller G, Griebenow N, Klebe G. Specker E, et al. Among authors: klebe g. Angew Chem Int Ed Engl. 2005 May 13;44(20):3140-4. doi: 10.1002/anie.200462643. Angew Chem Int Ed Engl. 2005. PMID: 15822136 No abstract available.

10

Hydroxyethylene sulfones as a new scaffold to address aspartic proteases: design, synthesis, and structural characterization.

Specker E, Böttcher J, Heine A, Sotriffer CA, Lilie H, Schoop A, Müller G, Griebenow N, Klebe G. Specker E, et al. Among authors: klebe g. J Med Chem. 2005 Oct 20;48(21):6607-19. doi: 10.1021/jm050224y. J Med Chem. 2005. PMID: 16220977

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