Conformer selection and differential restriction of ligand mobility by a plant lectin : Conformational behaviour of Galβ1-3GlcNAcβ1-R, Galβ1-3GalNAcβ1-R and Galβ1-2Galβ1-R´ in the free state and complexed with galactoside-specific mistletoe lectin as revealed by random-walk and conformational-clustering molecular-mechanics calculations, molecular-dynamics simulations and nuclear Overhauser experiments

Autor: Vliegenthart, J.F.G., Gilleron, M., Siebert, H.-C., Kaltner, H., Lieth, C.-W. von der, Kozár, T., Halkes, K.M., Korchagina, E.Y.

Publikováno v: European journal of biochemistry, 252(3), 416. Springer

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::629ed8d584017ff61a502a4f85b8017e
https://dspace.library.uu.nl/handle/1874/5283

NMR-based, molecular dynamics- and random walk molecular mechanics-supported study of conformational aspects of a carbohydrate ligand (Galβ1-2Galβ1-R) for an animal galectin in the free and in the bound state

Autor: Vliegenthart, J.F.G., Siebert, H.-C, Gilleron, M., Kaltner, H., Lieth, C.-W. von der, Kozár, T., Bovin, N., Korchagina, E.Y.

Publikováno v: Biochemical and biophysical research communications, 219(1), 205. Elsevier

The binding of a carbohydrate to a lectin may affect the conformation of the ligand. To address this question for the galectin from chicken liver, the conformation of Gal@b1-R was analyzed in the free and in the galectin-bound state with 2D-ROESY- an

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::9c6c2e9cbc80d52dd6b2766d93724850
https://dspace.library.uu.nl/handle/1874/5476

Role of aromatic amino acids in carbohydrate binding. Laser photo CIDNP (chemically induced dynamic nuclear polarisation) and molecular modeling study of hevein-domain containing lectins

Autor: Vliegenthart, J.F.G., Siebert, H.-C, Lieth, C.-W. von der, Kaptein, R., Soedjanaatmadja, U.M.S., Wright, C.S., Gabius, H.-J.

Publikováno v: Journal of molecular modeling, 2(9), 351. Springer-Verlag

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::6cebdb00721f53d01e3c68fc73b396ff
https://dspace.library.uu.nl/handle/1874/5566

Monosaccharide-Linked Inhibitors of O⁶-Methylguanine-DNA Methyltransferase (MGMT):  Synthesis, Molecular Modeling, and Structure−Activity Relationships

Autor: Reinhard, J., Hull, W. E., Lieth, C.-W. von der, Eichhorn, U., Kliem, H.-C., Kaina, B., Wiessler, M.

Publikováno v: Journal of Medicinal Chemistry; November 2001, Vol. 44 Issue: 24 p4050-4061, 12p

A Bond Flexibility Index Derived from the Constitution of Molecules

Autor: Lieth, C.-W. von der, Stumpf-Nothof, K., Prior, U.

Publikováno v: Journal of Chemical Information and Computer Sciences (now called Journal of Chemical Information and Modeling); July 24, 1996, Vol. 36 Issue: 4 p711-716, 6p