9781332869008 - A Modular Strategy for Generating Starting Conformations and Data Structures of Polynucleotide Helices for Potential Energy Calculations (Classic Reprint) de Schlic... (3 resultados)

PAP. Condición: New. New Book. Shipped from UK. Established seller since 2000.

PAP. Condición: New. New Book. Shipped from UK. Established seller since 2000.

Paperback. Condición: New. Print on Demand. A simple algorithm for generating starting coordinates and data structures of polynucleotide helices for energy calculations is presented in this book. The method is rapid, utilizes a helix from a simple list of bonds for basic DNA subunits, and avoids applying successive transformations to obtain coordinates. Deviations from equilibrium values for P03' bond lengths and 05'-P-O3' bond angles at residue connection sites are permitted, thereby avoiding the need for ring closure and geometry optimization. Every dimer building block is constructed from two sets of variables, one for each strand, and assembled into a helix by rigid body transformations. The author suggests how the algorithm can be used not only to generate standard A, B, and Z-DNA helices, but also to set up a wide range of starting conformations for the purpose of identifying novel helical structures. The book concludes by proposing ways the algorithm can be used to apply the build-up technique and pursue a build-up technique, and to explore conformational space systematically. Its insights will be valuable to those seeking to investigate the base sequence/structure relationship. 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.