Charles Schwieters

Imaging Sciences Laboratory
Division of Computational Bioscience
Center for Information Technology
National Institutes of Health

Ph.D., Princeton University, 1993.

Research Interests

• Application of computational methods to determine biomolecular structure and dynamics from NMR data.
• Optimization techniques applied to molecular systems.
• Visualization methods for molecular systems.
• Surface and Shape descriptions of biomolecules.

Selected Publications

1. G.M. Clore and C.D. Schwieters ``How much backbone motion in ubiquitin is required to be consistent with dipolar coupling data measured in multiple alignment media as assessed by independent cross-validation,'' J. Am. Chem. Soc. 126, 2923-2938 (2004).
2. G.M. Clore and C.D. Schwieters, ``Docking of protein-protein complexes on the basis of highly ambiguous intermolecular distance restraints derived from 1HN/15N chemical shift mapping and backbone 15N-1H residual dipolar couplings using conjoined rigid body/torsion angle dynamics,'' J. Am. Chem. Soc. 125, 2902-2912 (2003).
3. C.D. Schwieters, J.J. Kuszewski, N. Tjandra and G.M. Clore, ``The Xplor-NIH NMR Molecular Structure Determination Package,'' J. Magn. Res., 160, 66-74 (2003).
4. C. D. Schwieters and G. M. Clore, ``Reweighted Atomic Densities to Represent Ensembles of NMR Structures,'' J. Biomol. NMR, 23, 221-225 (2002).
5. C. D. Schwieters and G. M. Clore, ``Internal Coordinates for Molecular Dynamics and Minimization in Structure Determination and Refinement,'' J. Mag. Res., 152(2), 288-302 (2001).
6. C. D. Schwieters and G. M. Clore, ``The VMD-XPLOR Visualization Package for NMR Structure Refinement,'' J. Mag. Res., 149, 239-244 (2001).

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