<b>Summary of all simulation systems.</b>

NIAID Data Ecosystem2026-03-08 收录

分子动力学模拟

配体-受体相互作用

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https://figshare.com/articles/dataset/_Summary_of_all_simulation_systems_/987565 数据链接链接失效反馈

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Detailed simulation systems are listed herein including ligands, receptor, complex atoms, POPC lipids, and total atoms of the simulation box.

创建时间：

2014-04-04

Structural Determinants of Phosphopeptide Binding to the N‑Terminal Src Homology 2 Domain of the SHP2 Phosphatase

蛋白质-磷酸肽结合

分子动力学模拟

SH2 domain-containing tyrosine phosphatase 2 (SHP2), encoded by PTPN11, plays a fundamental role in the modulation of several signaling pathways. Germline and somatic mutations in PTPN11 are associate

NIAID Data Ecosystem40

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

ParM from plasmid R1 APO form

ParM蛋白结构

分子动力学模拟

ParM from plasmid R1 APO form

NIAID Data Ecosystem00

Mechanism of Hormone Peptide Activation of a GPCR: Angiotensin II Activated State of AT 1 R Initiated by van der Waals Attraction

GPCR激活机制

分子动力学模拟

We present a succession of structural changes involved in hormone peptide activation of a prototypical GPCR. Microsecond molecular dynamics simulation generated conformational ensembles reveal propaga

NIAID Data Ecosystem20

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

<b>Summary of all simulation systems.</b>

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