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Protein NMR Structures Refined with Rosetta Have Higher Accuracy Relative to Corresponding X-ray Crystal Structures.. Journal of the American Chemical Society.(2014).
A new twist in TCR diversity revealed by a forbidden alphabeta TCR. Journal of molecular biology. 375(5), 1306-19.(2008).
Critical role of beta-hairpin formation in protein G folding. Nature structural biology. 7(8), 669-73.(2000).
Rapid protein fold determination using unassigned NMR data. Proceedings of the National Academy of Sciences of the United States of America. 100(26), 15404-9.(2003).
Coupled prediction of protein secondary and tertiary structure. Proceedings of the National Academy of Sciences of the United States of America. 100(21), 12105-10.(2003).
ROSETTALIGAND: protein-small molecule docking with full side-chain flexibility. Proteins. 65(3), 538-48.(2006).
The fumarate sensor DcuS: progress in rapid protein fold elucidation by combining protein structure prediction methods with NMR spectroscopy. Journal of magnetic resonance. 173(2), 310-6.(2005).
The effects of mutations on motions of side-chains in protein L studied by 2H NMR dynamics and scalar couplings. Journal of molecular biology. 329(3), 551-63.(2003).
Computational design of an unnatural amino acid dependent metalloprotein with atomic level accuracy.. Journal of the American Chemical Society. 135(36), 13393-9.(2013).
A "loop entropy reduction" phage-display selection for folded amino acid sequences. Protein science. 10(1), 129-34.(2001).
Progress and challenges in high-resolution refinement of protein structure models. Proteins. 59(1), 15-29.(2005).
Analysis of anisotropic side-chain packing in proteins and application to high-resolution structure prediction. Journal of molecular biology. 342(2), 651-64.(2004).
Physically realistic homology models built with ROSETTA can be more accurate than their templates. Proceedings of the National Academy of Sciences of the United States of America. 103(14), 5361-6.(2006).
Community-wide evaluation of methods for predicting the effect of mutations on protein-protein interactions.. Proteins. 81(11), 1980-7.(2013).
Electron density redistribution accounts for half the cooperativity of alpha helix formation. The journal of physical chemistry. B. 110(10), 4503-5.(2006).
Evaluation of Models of Electrostatic Interactions in Proteins. Journal of Physical Chemistry B. 107(9), 2075-2090.(2003).
Close agreement between the orientation dependence of hydrogen bonds observed in protein structures and quantum mechanical calculations. Proceedings of the National Academy of Sciences of the United States of America. 101(18), 6946-51.(2004).
Protein-DNA binding specificity predictions with structural models. Nucleic acids research. 33(18), 5781-98.(2005).
Comparative analysis of mutant tyrosine kinase chemical rescue. Biochemistry. 48(15), 3378-86.(2009).
Alteration of enzyme specificity by computational loop remodeling and design. Proceedings of the National Academy of Sciences of the United States of America. 106(23), 9215-20.(2009).