Calculated binding free energies from MM/GBSA calculations for Nelfinavir and co-crystallized inhibitors for predicted off-targets.
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下载链接：
https://figshare.com/articles/dataset/_Calculated_binding_free_energies_from_MM_GBSA_calculations_for_Nelfinavir_and_co_crystallized_inhibitors_for_predicted_off_targets_/450616
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资源简介：
Ensemble averaged binding free energies calculated for 200 snapshots extracted from the last 2 ns of the MD simulation.
创建时间：
2011-04-28
