Sotriffer CA - Search Results

1

Pyrrolidine derivatives as plasmepsin inhibitors: binding mode analysis assisted by molecular dynamics simulations of a highly flexible protein.

Luksch T, Blum A, Klee N, Diederich WE, Sotriffer CA, Klebe G. Luksch T, et al. Among authors: sotriffer ca. ChemMedChem. 2010 Mar 1;5(3):443-54. doi: 10.1002/cmdc.200900452. ChemMedChem. 2010. PMID: 20112327

2

Unraveling an Alternative Mechanism in Polymer Self-Assemblies: An Order-Order Transition with Unusual Molecular Interactions between Hydrophilic and Hydrophobic Polymer Blocks.

Hahn L, Zorn T, Kehrein J, Kielholz T, Ziegler AL, Forster S, Sochor B, Lisitsyna ES, Durandin NA, Laaksonen T, Aseyev V, Sotriffer C, Saalwächter K, Windbergs M, Pöppler AC, Luxenhofer R. Hahn L, et al. ACS Nano. 2023 Apr 11;17(7):6932-6942. doi: 10.1021/acsnano.3c00722. Epub 2023 Mar 27. ACS Nano. 2023. PMID: 36972400 Free PMC article.

3

Glycolytic flux control by drugging phosphoglycolate phosphatase.

Jeanclos E, Schlötzer J, Hadamek K, Yuan-Chen N, Alwahsh M, Hollmann R, Fratz S, Yesilyurt-Gerhards D, Frankenbach T, Engelmann D, Keller A, Kaestner A, Schmitz W, Neuenschwander M, Hergenröder R, Sotriffer C, von Kries JP, Schindelin H, Gohla A. Jeanclos E, et al. Nat Commun. 2022 Nov 11;13(1):6845. doi: 10.1038/s41467-022-34228-2. Nat Commun. 2022. PMID: 36369173 Free PMC article.

4

Crystal structure of a covalently linked Aurora-A-MYCN complex.

Diebold M, Schönemann L, Eilers M, Sotriffer C, Schindelin H. Diebold M, et al. Acta Crystallogr D Struct Biol. 2023 Jan 1;79(Pt 1):1-9. doi: 10.1107/S2059798322011433. Epub 2023 Jan 1. Acta Crystallogr D Struct Biol. 2023. PMID: 36601802 Free PMC article.

5

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

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

6

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. Farmaco. 2002 Mar;57(3):243-51. doi: 10.1016/s0014-827x(02)01211-9. Farmaco. 2002. PMID: 11989803 Review.

7

Structural and energetic determinants for enantiopreferences in kinetic resolution of lipases.

Bocola M, Stubbs MT, Sotriffer C, Hauer B, Friedrich T, Dittrich K, Klebe G. Bocola M, et al. Protein Eng. 2003 May;16(5):319-22. doi: 10.1093/protein/gzg047. Protein Eng. 2003. PMID: 12826722 No abstract available.

8

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.

9

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. Proteins. 2004 Jul 1;56(1):52-66. doi: 10.1002/prot.20021. Proteins. 2004. PMID: 15162486

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: sotriffer ca. J Med Chem. 2005 Oct 20;48(21):6607-19. doi: 10.1021/jm050224y. J Med Chem. 2005. PMID: 16220977

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