Charles D. Schwieters

In vitro-prepared A30P alpha-synuclein fibrils adopt the conserved and disease-relevant Greek key fold

The paper reports the high-resolution SSNMR structure of A30P mutant alpha-synuclein fibrils, showing a conserved Greek key fold not including the mutation site, and validates a method for comparing SSNMR spectra of Asyn polymorphs.

The NMR Exchange Format (NEF): Specification and Applications

The paper introduces NEF, a standard for NMR data exchange, and demonstrates its application in structure determination, metabolomics, and ligand screening.

Structure of alpha-synuclein fibrils derived from human Lewy body dementia tissue

This study determines the atomic structure of alpha-synuclein fibrils from Lewy body dementia tissue using a novel amplification method and solid-state NMR.

Restraint Validation of Biomolecular Structures Determined by NMR in the Protein Data Bank

The paper develops a standardized system for validating biomolecular structures against NMR restraints using NEF and NMR-STAR formats, implemented in the wwPDB OneDep system.

Structure-guided bifunctional molecules hit a DEUBAD-lacking hRpn13 species upregulated in multiple myeloma

The paper identifies a chemical scaffold targeting hRpn13, revealing a DEUBAD-lacking isoform upregulated in multiple myeloma and demonstrating its potential as a therapeutic target.

Robust nomenclature and software for enhanced reproducibility in molecular modeling of small molecules

The paper introduces a software pipeline called RUNER for reproducible molecular modeling of small molecules, demonstrating its use on over 4,100 compounds.