Candidate H-bond structures from CASP13

Name: Candidate H-bond structures from CASP13
Creator: Koyanagi, Yuki
Published: 2021-12-15T00:00:00+08:00

Figshare2021-12-15 更新2026-04-08 收录

蛋白质结构预测

氢键分析

数据链接：

https://figshare.com/articles/dataset/Candidate_H-bond_structures_from_CASP13/17206025/1 数据链接链接失效反馈

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资源简介：

Protein H-bond structures generated for the candidate structures in CASP13.

提供机构：

Koyanagi, Yuki

创建时间：

2021-12-15

Experiment data used in DeepHelicon

跨膜蛋白接触预测

蛋白质结构预测

The data is for the paper titled "DeepHelicon: accurate prediction of inter-helical residue contacts in transmembrane protein by residual neural networks". It contains four sub-folders as follows: 1.

NIAID Data Ecosystem50

The structure of hydrogen in calcium-ammonia-graphite: an in situ time resolv...

石墨插层化合物

氢键分析

The aim of this proposal is to determine the in-plane and out-of-plane structure of H2 in the two dimensional galleries of stage-I calcium-ammonia-graphite intercalates: this...

B2FIND10

Hydrogen bonds population (%).

分子动力学模拟

氢键分析

The analysis was performed for the lowest-energy 5 ns long fragments of the 150 ns long (100 ns cMD + 50 ns aMD) trajectories used to calculate the MM-PBSA energies. The hydrogen bonds occurring

Figshare2018-02-09 更新00

Results of the Kruskal-Wallis (K-W) test in the analysis of the topology-dependent length of a hydrogen bond between a non-halogenated ligand (LH) and a protein: for each pair of hydrogen bond acceptor/donor pair the p-value for the null hypothesis that both distributions are identical was estimate

统计检验

氢键分析

The values marked in red denote the pairs of distributions that differ one from the other, with α = 0.05. Additionally, the identified number of each type of hydrogen bond, n, and mean rank test are p

NIAID Data Ecosystem20

Kinematic Flexibility Analysis: Hydrogen Bonding Patterns Impart A Spatial Hierarchy Of Protein Motion

构象动力学

氢键分析

KGS conformational ensembles of 100 substates from sampling ADK starting from the open conformation (PDB ID 4ake). Hydrogen bonds were included at thresholds of -1, -2, and -4 kcal/mol. Hydrogen bond

Zenodo2018-07-18 更新10

Candidate H-bond structures from CASP13

资源简介：

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