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Structural and Dynamic Determinants of Ligand Binding in the Ternary Complex of Chicken Liver Bile Acid Binding Protein with Two Bile Salts Revealed by NMR †,‡

✍ Scribed by Eliseo, Tommaso; Ragona, Laura; Catalano, Maddalena; Assfalg, Michael; Paci, Maurizio; Zetta, Lucia; Molinari, Henriette; Cicero, Daniel O.

Book ID: 120630310
Publisher: American Chemical Society
Year: 2007
Tongue: English
Weight: 422 KB
Volume: 46
Category: Article
ISSN: 0006-2960
DOI: 10.1021/bi7013085

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## Abstract Chicken liver bile acid binding protein (cL‐BABP) crystallizes with water molecules in its binding site. To obtain insights on the role of internal water, we performed two 100 ns molecular dynamics (MD) simulations in explicit solvent for cL‐BABP, as __apo__ form and as a complex with t