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1 article(s) from Marcisz, Mateusz

Studying specificity in protein–glycosaminoglycan recognition with umbrella sampling

Mateusz Marcisz,
Sebastian Anila,
Margrethe Gaardløs,
Martin Zacharias and
Sergey A. Samsonov

Beilstein J. Org. Chem. 2023, 19, 1933–1946, doi:10.3762/bjoc.19.144

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Graphical Abstract

Figure 1: Graphical representation of ligands (in licorice, hydrogen atoms not shown) used in this study. Lig...

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Figure 2: RMSD values obtained using the cpptraj script from AMBER suite for 1BFC (basic fibroblast factor) c...

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Figure 3: Graphical representation of the ligands’ starting (in red, licorice) and final (in blue, licorice) ...

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Figure 4: Graphical representation of the ligand’s starting (in red, licorice) and final (in blue, licorice) ...

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Figure 5: Graphical representation of the ligand 4 starting (in red, licorice) and final (in blue, licorice) ...

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Figure 6: Comparison of the last frame of the US simulation (orange, licorice) with the chondroitin sulfate l...

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Figure 7: The X-ray conformation of bFGF-HP dp6 (PDB ID: 1BFC) and windows 5 and 10 and windows 6, 8, 10 in t...

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Published 19 Dec 2023

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