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The ligand and decoy molecules were docked into mSUCNR1, represented as pre-calculated potential grids and then sorted according to their ICM VLS scores.
This approach is based on elastic potential grids, which provide an accurate and efficient representation of intermolecular interactions in fully-flexible docking.
Thus, we set out to evaluate whether our approach of deformable potential grids [3], previously developed for protein-ligand docking, also provides an accurate and efficient means for representing intermolecular interactions in fully-flexible protein-protein docking.
A series of nested potential grids is constructed in a multiresolution format where higher resolution meshes provide potential values near the molecular surface while coarser meshes are used away from the molecule.
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Electric potential: Grid storage is growing fast.
Two GPS spoofing scenarios are considered, which may either trigger false generator trips or conceal existing phase angle deviations in the power grid to cause potential grid instability.
It is essential to evaluate potential grid impacts due to EV integration to guarantee consistent grid operation.
Numerous pilots, demonstration projects, and full-scale programs have been testing the potential grid services provided by smart appliances, solar inverters, batteries, and EV chargers, as well as by the integration of several smart technologies.
The aim of the present paper is to point out the interactions between three factors namely: grid potential, grid current and sample size (length), by taking advantage of the experimental design methodology.
A strategy to overcome potential grid overloading caused by large penetrations of PEVs is to optimize their battery charge-rates to fully explore grid capacity and maximize the customer satisfaction for all PEV owners.
Marquez was given a penalty point but escaped a potential grid penalty for this weekend after a clash with Pedrosa in last month's Aragon Grand Prix.
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CEO of Professional Science Editing for Scientists @ prosciediting.com