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We present calculated potential of mean force surfaces for rotation about ϕ, ψ dihedral angles of the α(1↔1)α-glycosidic linkage in the disaccharide trehalose (α-d-Glc-(1↔1)-α-d-Glc) in both vacuum and aqueous solution. The effects of aqueous solvation upon the α(1↔1)α-glycosidic linkage are investigated through comparison of the vacuum and aqueous solution free-energy surfaces. These surfaces reveal...
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