Publications by authors named "Stephen Siemonsma"

Recent world events have caused a dramatic rise in the use of video conferencing solutions such as Zoom and FaceTime. Although 3D capture and display technologies are becoming common in consumer products (e.g.

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Echo-planar imaging (EPI), which is the main workhorse of functional MRI, suffers from field inhomogeneity-induced geometric distortions. The amount of distortion is proportional to the readout duration, which restricts the maximum achievable spatial resolution. The spatially varying nature of the decay makes it challenging for EPI schemes with a single echo time to obtain good sensitivity to functional activations in different brain regions.

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Understanding the intrinsic conformational preferences of amino acids and the extent to which they are modulated by neighboring residues is a key issue for developing predictive models of protein folding and stability. Here we present the results of 441 independent explicit-solvent MD simulations of all possible two-residue peptides that contain the 20 standard amino acids with histidine modeled in both its neutral and protonated states. (3)J(HNHα) coupling constants and δ(Hα) chemical shifts calculated from the MD simulations correlate quite well with recently published experimental measurements for a corresponding set of two-residue peptides.

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