M16 conformer populations.

NIAID Data Ecosystem2026-03-13 收录

糖类构象

分子光谱拟合

数据链接：

https://figshare.com/articles/dataset/M16_conformer_populations_/18800109 数据链接链接失效反馈

官方服务：

资源简介：

Conformer abundances of M16 disaccharide obtained from MD and the best fit to Raman/ROA experimental data. Estimated error ranges for the latter in parenthesis.

创建时间：

2022-01-20

Building Up Key Segments of N -Glycans in the Gas Phase: Intrinsic Structural Preferences of the α(1,3) and α(1,6) Dimannosides

糖类构象

气相光谱

The intrinsic conformer specific vibrational spectra of two important subunits of the core pentasaccharide of N-linked glycans, the α(1,3) and α(1,6) dimannosides, have been recorded in the gas phase.

NIAID Data Ecosystem50

GlycoSHIELD Glycan Conformer Library

糖类构象

分子动力学模拟

Dataset containing GROMACS trajectories and reference structures of glycans used by the GlycoSHIELD pipeline.

NIAID Data Ecosystem30

Conformational Analysis of Sulfur-Containing 6-Deoxy-l-hexose Derivatives by Molecular Modeling and NMR Spectroscopy. A Theoretical Study and Experimental Evidence of Intramolecular Nonbonded Interactions between Sulfur and Oxygen

糖类构象

分子内非键相互作用

6-Deoxy-l-mannose diphenyldithioacetal (1) unexpectedly gave the rearranged products phenyl 3,4-di-O-acetyl-2-S-phenyl-1,2-dithio-6-deoxy-β-l-glucopyranoside (9) and 3,4-di-O-acetyl-2,5-anhydro-6-deox

NIAID Data Ecosystem30

M13 conformer populations.

糖类构象

计算化学模拟

Abundance of conformers of M13 disaccharide as obtained by MD, NMR, and the best fit to Raman/ROA (error bars in brackets).

Figshare2022-01-20 更新40

糖类构象

分子内硫氧相互作用

NIAID Data Ecosystem30