Three-Dimensional Structures of Carbohydrates and Where to Find Them

• Published in: International journal of molecular sciences Vol. 21; no. 20; p. 7702
• Main Authors: Scherbinina, Sofya I., Toukach, Philip V.
• Format: Journal Article
• Language: English
• Published: Switzerland MDPI AG 18.10.2020; MDPI
• Subjects: Carbohydrates; Carbohydrates - chemistry; Crystallography; Databases, Protein; Enzymes; Glycoproteins; Imaging, Three-Dimensional; Ligands; Molecular Conformation; Molecular Dynamics Simulation; Proteins; Quantum physics; Reproducibility of Results; Review; Simulation; spatial structure; database; glycoinformatics; model build; molecular modeling; structure validation; PDB glycans; structure visualization; web-tool; carbohydrate
• ISSN: 1422-0067; 1661-6596; 1422-0067
• DOI: 10.3390/ijms21207702

Analysis and systematization of accumulated data on carbohydrate structural diversity is a subject of great interest for structural glycobiology. Despite being a challenging task, development of computational methods for efficient treatment and management of spatial (3D) structural features of carbohydrates breaks new ground in modern glycoscience. This review is dedicated to approaches of chemo- and glyco-informatics towards 3D structural data generation, deposition and processing in regard to carbohydrates and their derivatives. Databases, molecular modeling and experimental data validation services, and structure visualization facilities developed for last five years are reviewed.