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Side Chain Alternate Confirmations

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This FAQ applies to: Any version.

Protein flexibility is one of the major challenges that will cause difficulty with docking results. If the protein has alternate conformations for sidechains, the best option is to edit the files to great several receptor files, each with a different one of the alternatives. The automated scripts for receptor preparation will typically save only conformation A.

by Sargis Dallakyan last modified 2012-11-27 10:46

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