P. Vallurupalli

Increasing the accuracy of exchange parameters reporting on slow dynamics by performing CEST experiments with high B1 fields

This paper improves the accuracy of exchange parameters in CEST experiments by using K instead of kex to guide B1 field selection, demonstrating better results in two FF domain mutants.

Characterising Aromatic Side Chains in Proteins through the Synergistic Development of NMR Experiments and Deep Neural Networks

This paper develops a deep neural network, FID-Net-2, combined with custom NMR experiments to accurately reconstruct high-resolution aromatic 1H-13C correlation spectra from uniformly 13C-labeled protein samples.

Atomic Resolution Mechanism of Ligand Binding to a Solvent Inaccessible Cavity in T4 Lysozyme

This study uses molecular dynamics simulations to reveal the atomistic mechanism of benzene binding to a solvent-inaccessible cavity in L99A T4L, showing that subtle helix movements enable rapid ligand access without large conformational changes.