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Dataset for "Rapid and reliable conformational analysis of glycans by small a...

B2FIND2026-04-05 收录

糖类构象

分子动力学模拟

数据链接：

https://b2find.eudat.eu/dataset/d96bc675-1123-5886-803f-f27391c4a5a6 数据链接链接失效反馈

官方服务：

资源简介：

Molecular dynamics simulation data

分子动力学模拟（Molecular dynamics simulation）数据

应用场景：

蛋白质-配体对接模拟

分子动力学模拟

Fraction of near-native FKBP51-FK506 geometries obtained in RP-REMD-DOCK and MD simulations.

NIAID Data Ecosystem20

Pressure control using stochastic cell rescaling - dataset

分子动力学模拟

压力控制算法

Supporting data related to manuscript "Pressure control using stochastic cell rescaling"

Zenodo2021-12-05 更新10

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

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

Figshare2024-08-15 更新10

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

Dataset for "Rapid and reliable conformational analysis of glycans by small a...

资源简介：

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