MOLECULAR STRUCTURE & DYNAMICS IN SOLUTION FROM MULTIDIMENSIONAL NMR: HIV

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The major goal of our research is to improve the capability for determining high-resolution protein and nucleic acid structures and dynamics in solution from multidimensional NMR experiments and to apply that methodology to interesting subjects. A topic of special interest is to develop the means of ascertaining the dynamic structure of biopolymers, since real molecules undergo conformational fluctuations in solution. At present, we continue to improve methodology, and applications include DNA gene targets, RNA, and proteins which regulate gene transcription. The subjects for structure determination are often chosen to be targets for subsequent drug design. We make extensive use of the CGL developed NMR analysis tool Sparky; members of my lab provide significant user input for development of Sparky. The Computer Graphics Laboratory facilities are utilized to display the three-dimensional structure and analyze structural features of nucleic acids and proteins. We also use the Computer Graphics Laboratory during the course of structure refinement, as the MidasPlus delegates, NOEshow and AMBERshow, enable us to readily examine any inconsistencies of interim structures with experimental data. In our most recent work, we have been generating conformational ensembles; we are working on ways of depicting the large amount of information on the ensembles in an effective graphical representation.