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Free energy of binding of cis– and trans-OH inhibitors to CDKs from MMPBSA calculations.

NIAID Data Ecosystem2026-03-07 收录

数据链接：

https://figshare.com/articles/dataset/_Free_energy_of_binding_of_cis_8211_and_trans_OH_inhibitors_to_CDKs_from_MMPBSA_calculations_/799421 数据链接链接失效反馈

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All energy values are in kcal/mol and ΔΔGcis-trans = ΔGcis−ΔGtrans.

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创建时间：

2013-09-13

不确定性量化

结合自由能

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光学分子探针

Metallocarboxypeptidases (MCPs) of the M14 family are Zn2+-dependent exoproteases present in almost every tissue or fluid in mammals. These enzymes perform a large variety of physiological functions a

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Fragment-based inhibitors of Lipoprotein associated Phospholipase A2

心血管药物

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Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 Descriptor: 5-[2-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)ethoxy]-2-fluoranyl-benzenecarbonitrile, CHLORIDE ION, Platelet-acti

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Human Thrombin In Complex With MI340

蛋白质-配体复合物结构

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Human Thrombin In Complex With MI340 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... Authors: Biela, A, Heine, A, Klebe, G. Deposit date: 2011-07-27 Release date

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BindingDB Entry 50018779: Design, synthesis and activity evaluation of novel lesinurad analogues containing thienopyrimidinone or pyridine substructure as human urate transporter 1 inhibitors.

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尿酸转运蛋白靶点验证

Small molecule binding data for protein Solute carrier family 2, facilitated glucose transporter member 9 and Solute carrier family 22 member 12, Uniprot Q96S37 and Q9NRM0

DataCite Commons2024-04-26 更新40

Free energy of binding of cis– and trans-OH inhibitors to CDKs from MMPBSA calculations.

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