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The binding free energy (BFE) plot using molecular mechanic/Poisson–Boltzmann surface area for the three complexes STAT1-Guttiferone k, MITF- Dabrafenib and ICAM1-Lifitegrast.

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Figshare2025-01-16 更新2026-04-28 收录
下载链接:
https://figshare.com/articles/dataset/The_binding_free_energy_BFE_plot_using_molecular_mechanic_Poisson_Boltzmann_surface_area_for_the_three_complexes_STAT1-Guttiferone_k_MITF-_Dabrafenib_and_ICAM1-Lifitegrast_/28222032
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资源简介:
Various energy components are illustrated, including Van der Waals (ΔEvdw), electrostatic energy (ΔEElec), polar solvation energy (ΔEPol), apolar solvation energy (ΔEAPool), and total binding energy (ΔEBinding).
创建时间:
2025-01-16
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