Sentence examples for simulation and protein from inspiring English sources

These typefaces expose the general public in a unique way to intriguing results and hard problems in hinged dissections, geometric tours, origami design, computer-aided glass design, physical simulation, and protein folding.

Significantly, a computer-aided docking simulation and protein sequence alignment identified conserved residues in the stem region of HA2 as the possible binding site of S-KKWK, which may be employed as a potential drug target for designing anti-IAVs with a broad-spectrum of activity.

By combining the use of popular docking scoring functions together with detailed molecular dynamics simulation and protein-ligand free energy calculations, a total of fourteen molecules are found to be potentially strong binders of PAR1.

Single molecule manipulation techniques combined with molecular dynamics simulations and protein engineering have enabled, during the last decade, the mechanical properties of proteins to be studied directly, thereby giving birth to the field of protein nanomechanics.

Multiple protein conformations were extracted from these simulations, and the protein surface was computationally 'flooded' with small organic probes using FTMAP [ 44] to identify potential binding sites.

Ultrafast folding proteins have served an important role in benchmarking molecular dynamics simulations and testing protein folding theories.

Due to this distinction between the active proteins and the passive metabolite pools, we termed this simulation scheme the "pools-and-proteins" approach [4].

Result shows that data simulation and taking more protein features into consideration improves the accuracy to a great extent.

Structure of BACE1 with docked ligands includes Triptofordin B1 and 1M7 that were carried out by MD simulation, and we use protein structure of BACE1 with no ligand (Apoprotein) for comparison.

Especially, computations requiring a large amount of data, such as next generation sequencing and protein simulation, are proper targets to exploit GPUs.

Different potential energy functions have predominated in protein dynamics simulations, protein design calculations, and protein structure prediction.