Excerpt from Development of a New Computational Approach to the Prediction of Nucleic Acid Structure by Potential Energy Methods: I. Deoxyribose
In the next section, we describe the fundamental issues of computational approaches while explaining the directions we have chosen. Section 3 discusses the methods: geometric construction, energv formulation and parameterization. And organization for minimization. In Section 4. We examine in detail the in fluence of different potential energy sets on the structures obtained and on the C3' - endo/c2' - endo energv difference. In particular. We can study the contribution of each energy potential from Energv vs. P (the pseudorotation parameter) profiles. These curves also provide an opportunity to investigate the approximation made in the'pséudorojtation description.
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