Paul C. Whitford

TL;DR: This study performs simulations of large-scale aminoacyl-transfer RNA rearrangements during accommodation on the ribosome and project the dynamics along experimentally accessible atomic distances to obtain evidence for which coordinates capture the correct number of barrier-crossing events and accurately indicate when the aa-tRNA is on a transition path.

TL;DR: These simulations provide a set of structural and energetic signatures that suggest strategies for modulating the physical-chemical properties of protein synthesis by the ribosome, and demonstrate the viability of a particular route during P/E hybrid-state formation.

TL;DR: The functional landscape of a single-domain plant-type ferredoxin protein and the effect of a distal loop on the electron-transfer center is investigated, finding the global stability and structure are minimally perturbed with mutation, whereas the functional properties are altered.

TL;DR: In this paper, two targeted phage-based vaccination approaches against SARS-CoV-2: dual ligand peptide-targeted phage and adeno-associated virus/phage (AAVP) particles.

TL;DR: All-atom explicit-solvent simulations predict that the diffusion coefficient of a tRNA molecule will depend on its position within the ribosome, and reveal the hierarchical character of ribosomal energetics, where steric interactions induce a large-scale free-energy barrier, and short-scale roughness determines the rate of diffusive movement across the landscape.