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Raw data molecular dynamics and alphafold (Lemaire et al)

Zenodo2024-05-24 更新2026-04-07 收录

蛋白质结构预测

分子动力学模拟

数据链接：

https://zenodo.org/doi/10.5281/zenodo.11283059 数据链接链接失效反馈

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资源简介：

Raw data molecular dynamics and alphafold for manuscript NCOMMS-24-29370

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创建时间：

2024-05-24

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

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

PDB: 1FSK - Bet v 1-A allergen from birch pollen in complex with mAb BV16: (313K, 40°C, 100 ns) - RMSD, SASA, RMSF, Rg, H-bonds

抗原-抗体相互作用

分子动力学模拟

PDB: 1FSK - Bet v 1-A allergen from birch pollen in complex with mAb BV16: (313K, 40°C, 100 ns) - RMSD, SASA, RMSF, Rg, H-bonds

Harvard Dataverse2024-08-09 更新00

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

H118Y_VUS

PTEN变异功能分类

分子动力学模拟

A total of 213 PTEN missense variants comprising of 147 VUS, 54 ClinVar Pathogenic and 12 Benign variants were slected for classification utilizing the MD simulations study.

NIAID Data Ecosystem00

Raw data molecular dynamics and alphafold (Lemaire et al)

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