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Hydrogen bonding data from molecular dynamics simulations.

NIAID Data Ecosystem2026-05-02 收录

分子动力学模拟

氢键分析

数据链接：

https://figshare.com/articles/dataset/Hydrogen_bonding_data_from_molecular_dynamics_simulations_/28932034 数据链接链接失效反馈

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资源简介：

Hydrogen bonding data from molecular dynamics simulations.

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创建时间：

2025-05-05

分子动力学模拟

血红蛋白功能

Nitrophorin 4 (NP4) is a heme protein that reversibly binds nitric oxide (NO), with release rates modulated by pH change. High-resolution structures of NP4 revealed that pH changes and NO binding indu

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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

NIAID Data Ecosystem00

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

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Molecular Dynamic Trajectory Of Magnesium Binding Wild Type For The Article "Ca 2+ Binding To F-Atp Synthase Β Subunit Triggers The Mitochondrial Permeability Transition"

分子动力学模拟

ATP合成酶功能机制

ATP synthase molecular dynamics simulations files for wild type of the beta subunit binding magnesium: 50ns trajectory (ATPsynth_woh2o_Mg_wt.dcd) and corresponding psf file (ATPsynth_mg_wt.psf)

Zenodo2020-09-18 更新00

Hydrogen bonding data from molecular dynamics simulations.

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