Relating Nmr Observables To Structure And Dynamics In Nucleic Acids And Proteins

Download or read book Relating NMR Observables to Structure and Dynamics in Nucleic Acids and Proteins written by Aaron T. Frank and published by . This book was released on 2011 with total page 233 pages. Available in PDF, EPUB and Kindle. Book excerpt: Studying the structural dynamics of biomolecules is a challenging problem that has received much attention due to the recognition that structurally, most native biomolecules exist as ensemble of heterogenous states that inter-convert on the time scales rang- ing from nanoseconds to seconds. The implication of this is far reaching affecting all cellular process that rely on biomolecular recognition and interaction. Central to understanding how biomolecules function within this paradigm is the ability to determine structural ensembles of a target system. Equally important is the task of determining the rates of conformational transitions. Here I present application and validation of an approach that have the potential to characterize the structural en- sembles of highly flexible ribonucleic acids (RNAs) by combining molecular dynamics (MD) simulations and nuclear magnetic resonance (NMR) spectroscopy. As a special topic, a method is presented that can be used to extract rates of conformational transitions from MD simulations.