Calculated binding free energies from MM/GBSA calculations for Nelfinavir and co-crystallized inhibitors for predicted off-targets.
收藏Figshare2015-12-02 更新2026-04-29 收录
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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：
2015-12-02
