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Article ID: 1107 - Last Modified: June 2, 2011

Does Schrödinger make use of the Dunbrack rotamer library? If not, has Schrödinger assembled a similar library?

The rotamer library in Prime was derived internally from a careful analysis of high resolution, non-redundant X-ray structures. We have compared it to other known rotamer libraries and although they are very similar, we have found that ours produces better results.

Keywords: Prime, side-chain prediction, rotamer library

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