… molecular models that capture the response of such domains upon mechanical loading and
illustrate the mechanisms … As opposed to molecular dynamics simulations, the analysis in …

… In the present study, high temperature molecular dynamics simulations have been carried
out on the native enzyme in solution. Analysis of these results in terms of root mean square …

… Alpha-helices and beta-sheets are … Molecular Dynamics (SMD) simulations to mechanically
unfold multiple alpha- and beta-helical proteins at constant velocity at the single molecule …

… In the molecular-dynamics simulation approach we employ the CHARMM19 all-atom …
dimensional lattice with beta sheets arranged in parallel. To visualize the molecular structure, only …

… The present review describes the applications of molecular dynamics techniques to …
The most stable Aβ dimer structure was characterized by the highest intermolecular beta-sheets …

… algorithm indicates that this region is formed by four antiparallel beta-sheets. Molecular
dynamic simulations and Molecular Mechanics/Poisson Boltzmann Surface Area (MM–PBSA) …

… Monte Carlo and molecular dynamics (MD) simulations using explicit water molecules have
… the shear that is characteristic of antiparallel beta sheets. [21] These two antiparallel strands …

… S1), indicating in a functional sense that the silk crystals used in this study were composed
of crystalline elements, namely beta-sheets. In contrast, the silk crystals exposed to the …

… We chose the parallel beta sheet for Abeta 25-35 peptide for molecular dynamics … are
probably not so important than the nearby beta sheets in a protofibril. The additional four strands in …

… $\beta$-sheets. The latter result shows that protein structures rich in $\alpha$-helices are
more robust to … perturbations through successive generations than those rich in $\beta$-sheets. …