Sentence examples for minimum energy structures from inspiring English sources

The search of a gaseous protein for minimum energy structures requires exploring all possible electrostatic interactions without structural restraints from hydrophobic bonding, which can slow the folding process to the extent that transient rather than stable structures may be probed in gas phase experiments on ms timescales.

Zhao, J. W. et al. Improvement on output torque of dielectric elastomer minimum energy structures.

Project based and hands-on experience with electronic structure calculations, obtaining minimum energy structures and reaction pathways, molecular simulation and modeling.

Thus the minimum energy structures obtained from simulations with random numbers are not optimal configuration of the system.

In this article, we introduce an automated routine for simulating the minimum energy structures for general GBs.

Therefore, the gas phase CEs of the NC cores, accurately represent the stability of the cores in the NC (presence of shell), and can be directly compared with the gas phase global minimum energy structures, in Fig. 3d.

The minimum energy structure of L has been optimised by DFT calculations.

A minimum energy structure for molecularly adsorbed water was not identified because all attempts to do so resulted in dissociation.

Results show that the right-handed model is the minimum energy structure with a relative stability of 20 kcal mol−1 residue.

With the aim to check the implemented force field, flexible docking studies were performed on three crystallographic complexes of β-lactamases with boronic acids that output the crystallographic conformation of the complexes as the global minimum energy structure.

Therefore, we can be confident that the calculations are reasonably modeling the potential energy surface around the minimum energy structure.