Grid search Subject

In grid searching (GS), each torsion angle is examined, but the. structure is not subjected to geometry optimization. 

One approach is referred to as grid search or systematic search and operates as follows. Conformational space is divided into similar volumes (typically hypercubes) by a regular grid and each and every grid point is subjected to... 

The maximum common substructure (MCSS) procedure developed by Miranker and Karplus locates the interaction sites by flooding the active site with many thousands of copies of randomly orientated functional groups (acetate, methanol, methane, methyl ammonium, and water) which are subjected to simultaneous energy minimization and/or molecular dynamics (MD). The local minima are further explored, to account for the flexibility of the receptor, via grid-searching or constrained... 

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