계산화학적 방법을 통한 β-D-glucopyranose 구조 연구 = Computational Studies of the β-D Glucopyranose Structure

다국어 초록 (Multilingual Abstract)

In this study, we have investigated potential energy of ${\beta}$-D-glucopyranose in vacuum and implicit water condition. By Comparing two conditions we find that how solvation energy influence ${\beta}$-D-glucopyranose structure. We use AMBER package program and GLYCAM_06 force field. Solvation model was used for the generalized Born model with Hawkins, Cramer, Truhlar has been proposed. We conclude that difference of contour map of two conditions is caused by solvation effect by reducing hydrogen bonding interaction.

참고문헌 (Reference)

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