MD17 (Molecular Dynamics 17)

Name: MD17 (Molecular Dynamics 17)
Creator: OpenDataLab
Published: 2022-04-29T18:28:38+08:00

OpenXLab2026-04-18 收录

分子动力学模拟

有机分子势函数预测

数据链接：

https://openxlab.org.cn/datasets/OpenDataLab/MD17 数据链接链接失效反馈

官方服务：

资源简介：

八个有机分子的分子动力学轨迹的能量和力。

提供机构：

OpenDataLab

创建时间：

2022-04-29

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

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

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

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

NIAID Data Ecosystem10

MD17 (Molecular Dynamics 17)

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