Sentence examples for pose and energy from inspiring English sources

A docking program is used to predict the binding pose and energy of a small-molecule model within a selected receptor binding pocket.

Subsequently, a short energy minimization was performed on each docked pose and the binding energy of this optimized pose was calculated.

Next, a short energy minimization was performed on each docked pose and the binding energy of this optimized pose was calculated.

The pose docked with force-field-based score is plotted in blue, which has the worst docking accuracy and even the orientation is completely opposite to the native pose, and the binding energy is −18.93 (force-field-based score), −6.42 (empirical-based score) and 239.36 (knowledge-based score).

The poses of their energy minima are far away from the native pose, and they probably have high energy barriers at the native pose.

After each docking calculation, the RMSD between the lowest energy docked ligand pose and the complex crystal structure ligand pose was evaluated.

The process concluded when the binding poses and energies of the selected peptide conformation stabilized over 5 iterations.

The torrid growth in data centers to keep pace with the demands of Internet-era computing, their immense need for electricity and their inefficient use of that energy pose environmental, energy and economic challenges, experts say.

For each final pose, the CHARMm energy (interaction energy plus ligand strain) and the interaction energy alone were calculated.

The rising threats posed by food and energy insecurity and environmental degradation require a strong investment response, which must necessarily be led by public action.

Performance consideration poses many challenges and energy saving is one of big challenges by keeping services equally accessible by everyone.