The present application of configurational statistics to model the nucleic acids or polynucleotides provides an essential first step in relating the subtle features of chemical architecture to the unique physical and biological properties of these macro-molecules. Through a combination of molecular modeling, potential energy calculations and statistical mechanical analyses it is possible to elucidate details of nucleic acid conformation and to provide a rational understanding of observed experimental phenomena. The primary objectives of the program are to classify and understand the complex array of nucleotide conformers and to develop more realistic theoretical models (that include effects of solvation and of medium- and long-range forces). The combined computations should enhance our comprehension of both polynucleotide extension and flexibility offering new structural insight into various conformational transitions and the irregularities of various forms. The energy and chain statistics studies may also provide a molecular basis for understanding the polyelectrolyte nature of DNA and RNA, including the influence of the charged backbone upon macromolecular folding and excluded volume. Hopefully, the theoretical analyses of conformation, properties, and interactions will additionally anticipate problems of potential importance to experimental investigation.
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