Charles D. Schwieters, Ph.D.
Professional Experience
- Director, Computational Biomolecular Magnetic Resonance Core, NIDDK, NIH, 2021-present
- Staff Scientist, Center for Information Technology, NIH, 1999-2021
- Postdoctoral Fellow, The University of Utah, 1996-1999
- Postdoctoral Fellow, The College of William and Mary, 1993-1996
- Ph.D., Princeton University, 1993
- B.S., University of Virginia, 1987
Current Research
We develop methodology for determination of structures and dynamics of biomolecules from nuclear magnetic resonance (NMR) and other sources of data. The software and protocols are published in the software package Xplor-NIH, a widely used packages for structure determination from NMR data. Importantly, Xplor-NIH is a platform for incorporating new types of data and novel algorithms into structure determination. We collaborate with experimental groups to develop and apply new methodology. All software is available from the Core's website.
The Core collaborates with researchers both within the NIH Intramural Program—including the NIDDK Laboratory of Chemical Physics—and internationally.
Select Publications
- Restraint Validation of Biomolecular Structures Determined by NMR in the Protein Data Bank.
- Baskaran K, Ploskon E, Tejero R, Yokochi M, Harrus D, Liang Y, Peisach E, Persikova I, Ramelot TA, Sekharan M, Tolchard J, Westbrook JD, Bardiaux B, Schwieters CD, Patwardhan A, Velankar S, Burley SK, Kurisu G, Hoch JC, Montelione GT, Vuister GW, Young JY.
- bioRxiv (2024 Jan 22) Abstract/Full Text
- Tuning sterol extraction kinetics yields a renal-sparing polyene antifungal.
- Maji A, Soutar CP, Zhang J, Lewandowska A, Uno BE, Yan S, Shelke Y, Murhade G, Nimerovsky E, Borcik CG, Arango AS, Lange JD, Marin-Toledo JP, Lyu Y, Bailey KL, Roady PJ, Holler JT, Khandelwal A, SantaMaria AM, Sanchez H, Juvvadi PR, Johns G, Hageman MJ, Krise J, Gebremariam T, Youssef EG, Bartizal K, Marr KA, Steinbach WJ, Ibrahim AS, Patterson TF, Wiederhold NP, Andes DR, Pogorelov TV, Schwieters CD, Fan TM, Rienstra CM, Burke MD.
- Nature (2023 Nov) 623:1079-1085. Abstract/Full Text
Research in Plain Language
We develop algorithms and write software to determine the shape of biological molecules from various data sources, including nuclear magnetic resonance (NMR). We then work with experimental groups at NIH and internationally to apply our work to various applications.
Research Images
