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Random search through conformational

To overcome the inefficiency of Metropolis Monte Carlo, which searches all of the conformational space but does so very slowly, a procedure to move rapidly through the space of local minima has been devised.177 The energy of a random starting conformation is minimized. Then, a random change (selected in the range 0 to 2ir) is made in a randomly chosen dihedral angle, and the... [Pg.106]


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Conformation search

Conformational search

Conformational searching

Conformer Search

Random conformations

Random search

Random search through conformational space

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