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Ago2-RNA complex simulations in AMOEBA force field

NIAID Data Ecosystem2026-03-14 收录

分子动力学模拟

RNA相互作用

数据链接：

https://zenodo.org/record/7694833 数据链接链接失效反馈

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资源简介：

10*100ns simulations of Ago2-RNA complex in the AMOEBA force field. The simulations were conducted using OpenMM.

应用场景：

创建时间：

2023-03-03

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

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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

ParM from plasmid R1 APO form

ParM蛋白结构

分子动力学模拟

ParM from plasmid R1 APO form

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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

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Spike-MD Data for "CryoBench: Diverse and challenging datasets for the heterogeneity problem in cryo-EM"

冷冻电镜异质性

分子动力学模拟

A synthetic cryo-EM dataset with heterogeneity from a molecular dynamics simulation and ground truth atomic models, poses, labels, mask, and consensus volume: Spike-MD: 100k particle images (256x25

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Ago2-RNA complex simulations in AMOEBA force field

资源简介：

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