Structural and dynamic roles of permanen
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Piero Ricchiuto; Alessandro Guerini Rocco; Elisabetta Gianazza; Dario Corrada; T
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Article
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2008
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John Wiley and Sons
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English
β 393 KB
## Abstract Chicken liver bile acid binding protein (cLβBABP) crystallizes with water molecules in its binding site. To obtain insights on the role of internal water, we performed two 100βns molecular dynamics (MD) simulations in explicit solvent for cLβBABP, as __apo__ form and as a complex with t