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Macrocycle strain Energy with ref

LiveDesignLigPrepMacroModelConfGenSchrodinger
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Jul 16, 2024 12:14 PM
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Low energy conformations

It runs a MacroModel or ConfGen conformational search on structures prepared with LigPrep. Optionally align them on a reference to inspect the conformational spaces in the context of the binding site.

[32162] 21.2.1
See details on https://kni.me/w/eAckV-NVB9b9o_rG
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    Schrödinger Extensions for KNIMETrusted extension

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