Adam D. Schuyler

Nonuniform Sampling of Multidimensional NMR. Nonuniform sampling (NUS) approaches in multidimensional NMR (Nuclear Magnetic Resonance) enable dramatic reductions in experiment time, increases in sensitivity and enhancements in resolution. In order to access these benefits, complex theory and data processing workflows are required. Our work delivers quantitative methods for evaluating best practices, so that advanced NMR techniques become more broadly accessible and effective in addressing challenging problems in structural biology. NMRbox. Computation is crucial for applications of NMR that provide insights into biomolecular structure, dynamics, interactions, and stability, and have translational applications including diagnostics and drug discovery. The amount of NMR software is exploding, making it more difficult to discover new software, and to support a full complement of software on a diverse set of computer platforms or maintain legacy packages. NMRbox is a National Center resource for biomolecular NMR (Nuclear Magnetic Resonance) software. It provides tools for finding the software you need, documentation and tutorials for getting the most out of the software, and cloud-based virtual machines for executing the software.

[2026] NMRhub: An NMR Data Ecosystem Spanning the Complete Data Lifecycle. [2025] Evaluating metrics of spectral quality in nonuniform sampling [2024] Overcoming potential obstacles as we strive for frictionless reproducibility [2023] nus-tool: A unified program for generating and analyzing sample schedules for nonuniformly sampled NMR experiments.