Untitled Item

Name: Untitled Item
Creator: The University of Adelaide
Published: 2025-12-20T18:27:11+08:00

Research Data Australia2025-12-20 收录

性激素受体结构解析

分子动力学模拟

数据链接：

https://researchdata.edu.au/untitled-item/3887914 数据链接链接失效反馈

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资源简介：

Data pertaining to the manuscript "Structural evolution of the estrogen receptor regulatory domain" by McDougal et al. (2024).

提供机构：

The University of Adelaide

1-Methyl-1-Nitroso Urea Reaction with Hydroxide Anion Intrinsic Reaction Coordinate

化学反应机理计算

分子动力学模拟

The intrinsic reaction coordinate for the reaction between hydroxide anion and 1-methyl-1-nitroso urea in water is depicted. The calculation should be regarded as preliminary since, a counter ion is

NIAID Data Ecosystem30

Substrate binding and inhibition mechanism of norepinephrine transporter

分子动力学模拟

神经递质转运蛋白抑制剂

MD simulations was performed to validate the stability of the docking pose of radafaxine. The solvated MD system of NET complexed with radafaxine was constructed. Protonation states of residues were a

Figshare2024-08-15 更新10

Pub1-PRE experimental data.zip

蛋白质结构解析

分子动力学模拟

Structure Ensemble of the First Two RNA Recognition Motif Domains of a Poly(U) Binding Protein from Paramagnetic Relaxation Enhancement and Molecular Simulation Guan

Figshare2016-04-21 更新10

Fraction of near-native FKBP51-FK506 geometries obtained in RP-REMD-DOCK and MD simulations.

蛋白质-配体对接模拟

分子动力学模拟

Fraction of near-native FKBP51-FK506 geometries obtained in RP-REMD-DOCK and MD simulations.

NIAID Data Ecosystem20

Crystal structure of human Estrogen Receptor Alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide and 16-alpha-hydroxy-estrone ((8S,9R,13S,14R,16R)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15, 16-octahydro-6H-cyclopenta[a]phenanthren-17-one

性激素受体结构解析

配体-受体相互作用

Protein Data Bank Japan2023-09-06 更新10