A. E. McDermott

Predicted and Experimental NMR Chemical Shifts at Variable Temperatures: The Effect of Protein Conformational Dynamics

The paper improves 15N chemical shift prediction by incorporating conformational dynamics from MD simulations, showing better agreement with experimental NMR data at different temperatures.

Zinc Alters the Supramolecular Organization of Nucleic Acid Complexes with Full-Length TIA1

This study investigates how zinc affects the structure and function of TIA1 nucleic acid complexes, showing zinc induces conformational changes and reduces nucleic acid accessibility.

Contribution of protein conformational heterogeneity to NMR lineshapes at cryogenic temperatures

The paper investigates how protein conformational heterogeneity contributes to NMR lineshape broadening at cryogenic temperatures by analyzing backbone torsion angles in E. coli DHFR.

Rotating Frame Relaxation for Magic Angle Spinning Solid State NMR, A Promising Tool for Characterizing Biopolymer Motion

This paper discusses rotating frame relaxation measurements in magic angle spinning solid state NMR to characterize biopolymer motion, exploring experimental strategies and data interpretation.

High-resolution magic angle spinning NMR of KcsA in liposomes: the highly mobile C-terminus

This study uses HR-MAS NMR to analyze the dynamic behavior of the C-terminus of KcsA in proteoliposomes under acidic conditions and reports lipid head group hydrolysis.

GTP-bound E. coli FtsZ filaments are composed of Tense monomers: A DNP NMR study using interface detection.

Informing NMR experiments with molecular dynamics simulations to characterize the dominant activated state of the KcsA ion channel

The paper uses molecular dynamics simulations and NMR data to identify the activated state of the KcsA ion channel that best matches experimental SSNMR results.

Scaled Recoupling of Chemical Shift Anisotropies at High Magnetic Fields under MAS with Interspersed C-elements

This paper introduces a new NMR pulse sequence, fROCSA, to measure chemical shift anisotropies for carbonyl groups in solid-state NMR by modifying scaling factors with interspersed C-elements.

Phe-Gly Motifs Drive Fibrillization of TDP-43's Prion-Like Domain Droplets

The paper shows Phe-Gly motifs drive fibrillization from TDP-43 droplets, revealing structural differences between droplets and fibrils.

Probing Allosteric Coupling of a Constitutively Open Mutant of the Ion Channel KcsA using Solid State NMR

The paper uses solid-state NMR to study a constitutively open mutant of KcsA, finding reduced potassium binding affinity at the selectivity filter, supporting allosteric coupling in C-type inactivation.

Stability of Nitroxide Biradical TOTAPOL in Biological Samples

The paper investigates the stability of TOTAPOL in biological samples and proposes strategies to enhance its stability for DNP studies.