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Molecular dynamics simulation of hSLCO2A1-POPC replicate 3

NIAID Data Ecosystem2026-05-02 收录

分子动力学模拟

膜蛋白模拟

数据链接：

https://zenodo.org/record/14605905 数据链接链接失效反馈

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资源简介：

Files required to visualize and reproduce molecular dynamics simulation of hSLCO2A1 in a POPC bilayer - replicate 3

应用场景：

创建时间：

2025-01-06

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

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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

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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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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

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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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Molecular dynamics simulation of hSLCO2A1-POPC replicate 3

资源简介：

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