Sentence examples for simulation and structure from inspiring English sources

We have computationally studied the effect of crowding upon protein folding for 12 small domains in a simulated cell using a coarse-grained protein model, which is based upon Langevin dynamics, designed to unify the often disjoint goals of protein folding simulation and structure prediction.

To investigate the novel tyrosine kinase inhibitor of HER2 receptor, we employed the molecular simulation and structure-based drug design.

Analysis of our simple model suggests that inclusion of these solvent terms may also improve off-lattice potentials for protein simulation, design, and structure prediction.

So the process of making these begins in the physical world with photorealistic photogrammetry captures and then I bring them into the virtual and build 3D simulations and structures with them.

The all-atom simulations and structure-based potential FES revealed a complex scenario respectively for the high-temperature unfolding and folding mechanism of this protein.

After processing, the resultant data was compared with the finite element method analysis for simulation model validation and structure inspection.

An approach is then presented to cover the entire process of simulation and to structure this process in order to improve the ability to teach it.

After MD simulation, the docking poses in docking simulation and representative structures of each TRAF6 protein complex are illustrated in Figure 11.

The pathway definition is using caver 3.0 to determine the interpath protein path during MD simulation [ 59] and structure variation comparing the difference between MD 0 ns and MD 40 ns.

A principal feature of the code is the incorporation of topographical data into the simulations and grid structure, combining numerical flow simulations with digital elevation data of natural terrain.

A number of approaches are used to quantitatively describe the interactions of a drug compound with cardiac ion channels, including molecular dynamics simulations and quantitative structure activity relationship (QSAR) models.