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. Author manuscript; available in PMC: 2012 May 31.

Published in final edited form as: Biochemistry. 2011 May 6;50(21):4813–4818. doi: 10.1021/bi200638x

Effects of rotating O4′–C1′–N1–C2 dihedral angle in OMP on the relative energy for free OMP calculated in vacuo () and in water (). Calculations in water were performed using the Onsager model implemented in Gaussian 03. The recommended radii for calculations in water were determined through volume calculations.

Inline graphic — Effects of rotating O4′–C1′–N1–C2 dihedral angle in OMP on the relative energy for free OMP calculated in vacuo () and in water (). Calculations in water were performed using the Onsager model implemented in Gaussian 03. The recommended radii for calculations in water were determined through volume calculations.