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The binding energies of MMPBSA and MMGBSA for the PPARδ complexes.

NIAID Data Ecosystem2026-05-01 收录

数据链接：

https://figshare.com/articles/dataset/The_binding_energies_of_MMPBSA_and_MMGBSA_for_the_PPAR_complexes_/22453358 数据链接链接失效反馈

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The binding energies of MMPBSA and MMGBSA for the PPARδ complexes.

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创建时间：

2023-03-31

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Protein Data Bank Japan2024-10-23 更新50

Binding free energy and its components during MD simulation.

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Binding free energy and its components during MD simulation.

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Summary of the MM-GBSA calculations of binding free energy of ATP (ΔGbind) based on the proposed ATP-binding modes.

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#the PDB entry codes for closed and open structures used in in silico docking are 3H9V and 4WD1, respectively;aDocking ATP into closed or open structures of zfP2X4.1 with proper preparation and minimi

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MMPBSA analysis results.

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Structure of EstD11 S144A in complex with naproxen p-nitrophenol ester

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Structure of EstD11 S144A in complex with naproxen p-nitrophenol ester Descriptor: 4-nitrophenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate, EstD11 S144A Authors: Miguel-Ruano, V, Rivera, I, Hermoso,

Protein Data Bank Japan2026-04-15 更新50

The binding energies of MMPBSA and MMGBSA for the PPARδ complexes.

资源简介：

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