David A. Case

TL;DR: Superimposition of the PLP2 model on the PLpro X-ray structure identifies binding site residues inPLP2 that contribute to the distinct substrate cleavage site specificities between the two proteases.

TL;DR: The initial settings and preparations for the Thermodynamic Integration calculation in AMBER Free-Energy Workflows are re-examined, demonstrating the value of careful consideration of ligand protonation and tautomer state.

TL;DR: It is shown that a fairly simple pattern descriptor can find almost all known tRNA genes in both bacterial and eukaryotic genomes, and that false positives can be recognized by their high estimated folding free energies.

TL;DR: The occurrence of complex alleles may be an alternative explanation for the variability of the phenotype in individuals who are compound heterozygous for c.[187C>G]+[845G>A] (p.[His63Asp]+[Cys282Tyr]).

TL;DR: A comparison of NOE measurements and 1/R6 weighted proton-proton distances confirm the general correctness of the Actinomycin D-DNA model proposed by Sobell, but there are some substantial differences between the proton and proton distances inferred from the NOE results and the molecular and harmonic dynamics simulations.