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Glide energy grid was generated using 2FUM structure.
The receptor grid was generated (OPLS3 force field [46]) by centering the grid box with a size of 12 Å on Asp3.32 residue.
A grid was generated around to identify xyz coordinates (X = 15.137, Y = 17.850 and Z = −3.537), around binding site of 3IVX protein.
A receptor grid was generated around the active site of CDK8 enzyme by choosing centroid of the enzyme complexed ligand (5XG ligand taken as the reference).
Protein was prepared by applying default parameters of wizard Maestro 9.0; a grid was generated around the active site by selecting the co-crystalized ligand.
There are very significant differences in the binding mode indicating that the binding location in B*57 01 most likely occurs in a different region of the pocket than where the docking grid was generated using abacavir.
Similar(47)
The grid is generated for each match according to rules that ensure a sufficient supply of vowels and consonants.
The physical region is divided into sub-regions and within each sub-region, a structured grid is generated.
A coarse grid is generated by a moving mesh finite difference method that is based on equidistribution, and this grid is used to construct a time-dependent coordinate transformation.
According to the grid refinement criterion based on the wavelet amplitudes of density distribution functions, an adaptive sparse grid is generated by the omission and addition of collocation points.
The boundary grid is generated either by a one-dimensional version of the advancing-front method, or by requiring a set of criteria based on local line representation with circular arcs.
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