Development of a New Computational Approach to the Prediction of Nucleic Acid Structure by Potential Energy Methods - Softcover
Synopsis
This book presents the development of a novel computational approach to predict the three-dimensional structure of deoxyribose nucleic acids by potential energy methods. The significance of the approach lies in its ability to incorporate experimental data known from crystal structures of small molecules, and to make reliable predictions of structures of larger biological systems. The author's strategy consists of representing the molecular conformation in cartesian coordinate space with the full set of degrees of freedom associated with the molecular conformation, allowing all bond lengths and bond angles as well as dihedral angles to vary. All the interactions other than the non-bonded terms are represented by polynomials of the coordinate variables. This formulation allows direct differentiation with respect to the cartesian variables and facilitates manipulation and differentiation of the energy terms. The text examines in detail the influence of different potential energy sets on the structures obtained and on the C3' endo/C2' endo energy difference. The author explores the contribution of each energy potential from Energy versus P (the pseudorotation parameter) profiles. These curves also provide an opportunity to investigate the approximation made in the pseudorotation description. The concluding insights of this book are significant because they provide a deeper understanding of the correlation between conformation and biological function, offering a valuable tool for revealing details of molecular conformation, motion, and associated biological functions.
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Development of a New Computational Approach to the Prediction of Nucleic Acid
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Paperback. Condition: New. Print on Demand. This book presents the development of a novel computational approach to predict the three-dimensional structure of deoxyribose nucleic acids by potential energy methods. The significance of the approach lies in its ability to incorporate experimental data known from crystal structures of small molecules, and to make reliable predictions of structures of larger biological systems. The author's strategy consists of representing the molecular conformation in cartesian coordinate space with the full set of degrees of freedom associated with the molecular conformation, allowing all bond lengths and bond angles as well as dihedral angles to vary. All the interactions other than the non-bonded terms are represented by polynomials of the coordinate variables. This formulation allows direct differentiation with respect to the cartesian variables and facilitates manipulation and differentiation of the energy terms. The text examines in detail the influence of different potential energy sets on the structures obtained and on the C3' endo/C2' endo energy difference. The author explores the contribution of each energy potential from Energy versus P (the pseudorotation parameter) profiles. These curves also provide an opportunity to investigate the approximation made in the pseudorotation description. The concluding insights of this book are significant because they provide a deeper understanding of the correlation between conformation and biological function, offering a valuable tool for revealing details of molecular conformation, motion, and associated biological functions. This book is a reproduction of an important historical work, digitally reconstructed using state-of-the-art technology to preserve the original format. In rare cases, an imperfection in the original, such as a blemish or missing page, may be replicated in the book. print-on-demand item. Seller Inventory # 9781333716363_0
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Development of a New Computational Approach to the Prediction of Nucleic Acid Structure by Potential Energy Methods I Deoxyribose Classic Reprint
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PAP. Condition: New. New Book. Shipped from UK. Established seller since 2000. Seller Inventory # LW-9781333716363
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Development of a New Computational Approach to the Prediction of Nucleic Acid Structure by Potential Energy Methods I Deoxyribose Classic Reprint
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PAP. Condition: New. New Book. Shipped from UK. Established seller since 2000. Seller Inventory # LW-9781333716363
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