Exact(3)
A more accurate assessment of the most probable structure of an aggregate was performed for this paper in section 'The structure of an aggregate based on interaction energy'.
A machine learning classifier is used to identify whether or not each 9-mer segment is a binder based on interaction energy components calculated from the docking solution.
HADDOCK provides scoring of various poses based on interaction energy and clustering of repeatedly recurring poses.
Similar(57)
We address the RNA-RNA Interaction Problem (RIP) based on the interaction energy model proposed by Chitsaz et al. [ 2] over the type of interaction considered by Alkan et al. [ 1].
We rank putative substrates based on calculated interaction energy with a modeled near-attack conformation of the enzyme active site.
Generally, based on the interaction energy, the H-bonds can be classified into strong 15-455 kcal mol-1), medium (4-15 kcal mol-1), and weak (1-4 kcal mol-1) [63].
In summary, this work provides a feasible route to choose and achieve a better oil-displacing agent based on the interaction energy between the oil molecules and solid surface, which is also important for shortening oil detachment time and contributes to its applications in cleaning fields.
An energy agriculture technology system was also established based on energy crop, energy forestry, energy animal husbandry, energy utilization of agricultural waste, and equipment manufacturing.
Subsequently, docking studies were performed on the hits and novel series of potent leads were suggested based on the interactions energy between ZAP-70 and the putative inhibitors which validated not only the virtual screening potential of the model but also identified the possible new Chemotypes.
A thermodynamic model based on a single interaction energy of dissimilar nearest neighbour interaction energy is presented, and a model for the strengthening due to these co-cluster dimers is derived.
A physical model of MTJ based on the energy interaction is presented.
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