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Carbohydrate Structure Database: current state and recent developments
Analytical and Bioanalytical Chemistry. 2025. Vol. 417. P. 1025–1034.
Carbohydrate Structure Database (CSDB) is a curated glycan data collection and a glycoinformatic platform. In this report, its database, analytical, and other components that have appeared for the recent years, are reviewed. The major improvements were achieving close-to-full coverage on glycans from microorganisms, launching modules for glycosyltransferases and saccharide conformations, online glycan builder and 3D modeler, NMR simulator, NMR-based structure predictor, and other tools.
Language:
English
Томск: Издательство Томского государственного университета, 2026.
Материалы сборника Шестнадцатой Международной конференции «Новые информационные
технологии в исследовании сложных структур» (Москва, 21–25 сентября 2026 г.) ориентированы на
широкий круг специалистов, работающих на стыке теории информации, системного анализа и
прикладных предметных областей. В издание вошли результаты исследований, посвящённые
моделированию дискретных и стохастических структур управления и связи, разработке
высокопроизводительных вычислительных и телекоммуникационных систем, а также вопросам
цифровой трансформации образования, архитектурно-градостроительного проектирования,
экологического ...
Added: October 6, 2026
Серебренников Д. А., Belov A. V., Информационные технологии и вычислительные системы 2026 № 3 С. 157–169
В условиях роста стоимости энергоресурсов и необходимости повышения энергоэффективности производственных процессов особую актуальность приобретает задача оптимизации энергопотребления промышленных предприятий. В данной работе рассматривается подход к управлению энергозатратами машиностроительного предприятия на основе методов многокритериальной оптимизации. Постановка задачи включает несколько целевых функций: минимизацию энергопотребления, минимизацию стоимости электроэнергии с учётом тарифных ограничений и максимизацию производственной эффективности. Для решения ...
Added: October 5, 2026
Kuninets A., IEEE Transactions on Information Theory 2026 P. 1–1
In this work we study the applicability of Quasi-Cyclic Subfield Subcodes of Dual Elliptic (QC-SSDE) codes for integration into code-based cryptographic schemes. Detailed algorithms are provided for constructing parity-check matrices as well as block-circulant parity-check matrices for this family of codes, accompanied by empirical results that enable the construction of QC-SSDE codes with predetermined dimensions. ...
Added: October 3, 2026
Zykov S. V., Уфимцев Г. А., Моделирование, оптимизация и информационные технологии 2026 Т. 14 № 8 С. 1–13
Информационные системы формируют большие объёмы событийных журналов, которые используются для анализа работы приложений и сервисов. При этом события могут поступать в аналитический контур позже момента их фактического возникновения и не в исходном порядке. Такая рассинхронизация приводит к ошибкам при построении агрегированных временных показателей, а регулярный полный пересчёт многомерного аналитического куба требует значительных вычислительных затрат. Целью ...
Added: October 2, 2026
Polarization of opinions in the group: a modeling algorithm considering the dynamics of social bonds
Chebotarev V., Andreyuk D., Elizarova Anastasiya et al., Procedia Computer Science 2022 Vol. 213 No. C P. 596–601
The dynamics of opinion in a group are of interest for a number of practical purposes. In particular, consensus helps and polarization of opinions hinders cohesive teamwork. Existing approaches for modeling opinion dynamics mostly do not take into account the dynamism of social relations in a group. This paper proposes an algorithm and a program ...
Added: October 2, 2026
Konstantinov A., Elizarova Anastasiya P., Utkin L., Computing, Telecommunications and Control 2026 Vol. 19 No. 1 P. 16–25
Decision trees and their ensemble extensions, such as random forests, are widely used as classification models due to their simplicity and interpretability. However, in many real-world tasks where class labels overlap in the feature space, standard decision trees rely on hard splits that create fragile decision boundaries. In these regions, small perturbations in the input ...
Added: October 2, 2026
Ekaterina D. Riumina, Klink G. V., Alekseeva E. et al., PNAS, США 2026 Vol. 123 No. 35 P. 1–20
The role of escape from the cytotoxic T cell (CTL) response in SARS-CoV-2 evolution remains controversial. Here, we study the origin and spread of SARS-CoV-2 variants whose mutations reduce presentation by the HLA class I alleles common in human populations. We find that 35% of mutations that are characteristic of the variants of concern, and ...
Added: October 2, 2026
Zhukov A., Chen F., Zeng Y. et al., Nanoscale 2026 Vol. 18 No. 36 P. 19223–19253
Colloidal semiconductor nanocrystals have emerged as promising materials for next-generation light-emitting diodes (LEDs) owing to their solution processability, tunable emission wavelengths, narrow emission linewidths, and high photoluminescence quantum yields. Among them, anisotropic nanocrystals, including one-dimensional nanorods (NRs) and two-dimensional nanoplatelets (NPLs), offer additional opportunities for controlling transition dipole moment orientation and light out-coupling efficiency. These ...
Added: October 2, 2026
Мальцева В. Е., Ananyev I., Milevskii N. et al., Molecular Systems Design and Engineering 2026 Vol. 11 No. 7 P. 691–704
The use of hydrophobic deep eutectic solvents (DESs) as extractants for metal ion separation is largely due to the ease of their preparation and the possibility of modifying them depending on the composition of the metal mixture to be separated. However, the most common approach to DES modification involves the replacement of the extractant, while ...
Added: October 2, 2026
Мальцева В. Е., Ananyev I., Golubev A. V. et al., Russian Journal of Inorganic Chemistry 2026 Vol. 71 P. 724–736
Two voluminous polymer silver(I) salts of perchlorinated dodecoborate clusters, {[(Me2CO)Ag(μ-Me2CO)2Ag(Me2CO)][μ-B12Cl12]}n (1) and {[DMFAg(μ-DMF)2AgDMF][μ-B12Cl12]}n (2) were synthesized. The 35Cl nuclear quadrupole resonance (NQR) spectroscopy supplemented with the X-ray diffraction data was applied for identifying and analyzing noncovalent interactions Cl···X in these salts. Whereas in X-ray diffraction, noncovalent interactions are associated with the presence of the shortened ...
Added: October 2, 2026
Мальцева В. Е., Rozhkov A., Ananyev I. et al., Inorganic Chemistry 2026 Vol. 65 No. 22 P. 12484–12496
Despite the well-established importance of chalcogen bonding in crystal engineering and supramolecular chemistry, experimental charge density data for TeII-centered chalcogen bonds have remained entirely absent, leaving the electronic nature of these interactions uncharacterized at the level of directly measured electron density. Here, we report the first high-resolution X-ray diffraction (HRXRD) study of TeII-centered chalcogen bonds, ...
Added: October 2, 2026
Prokhorov A., Burda M., Journal of Computational and Graphical Statistics 2026 P. 1–13
Bayesian nonparametric density estimation procedures are typically based on single-scale priors, such as Dirichlet process mixtures. Alternative multiscale density priors built on decision trees have many well-known advantages, including the ability to characterize abrupt local changes and to provide an estimate with a desired level of resolution. Despite their theoretical appeal, multiscale methods have typically ...
Added: October 2, 2026
Aly Ismailov, Poptsova M., Plos One 2026 Vol. 21 No. 9 Article e0355902
Added: October 2, 2026
Ostovari Moghaddam A., Mehrabi-Kalajahi S., Solizoda I. A. et al., Metals and Materials International 2026 P. 1–9
Off-stoichiometric boron-doped chemically complex intermetallic alloys (CCIMAs) have recently emerged as a new avenue for overcoming the low temperature brittleness of ordered superlattices. However, their behavior at high temperatures remains unexplored. In this study, a novel (Ni39.6Co29.3Cr10Al15.8Ta3.3Nb2)98.5B1.5 CCIMA was prepared and its oxidation resistance over a wide temperature range (500 °C–950 °C) was studied. The ...
Added: October 1, 2026
Zlotnik A., Математические заметки 2026 Т. 120 № 6 С. 1005–1009
Численным методам решения систем газодинамических уравнений посвящена обширная литература. Ранее было разработано и успешно апробировано специальное семейство симметричных по пространству консервативных разностных методов, основанных на предварительной кинетической, точнее, квазигазодинамической (КГД), регуляризации этих уравнений. Актуальной задачей является построение численных методов, которые обладают не только свойством консервативности по массе, импульсу и полной энергии, но и удовлетворяют условиям энтропийной ...
Added: October 1, 2026
International Joint Conferences on Artificial Intelligence, 2026.
Added: October 1, 2026
Ryumina E., Aksenov A., Сысоев Д. С. et al., IEEE Computer Society, 2026.
Ambivalence/hesitancy recognition in unconstrained videos is a challenging problem due to the subtle, multimodal, and context-dependent nature of this behavioral state. In this paper, a multimodal approach for video-level ambivalence/hesitancy recognition is presented for the 10th ABAW Competition. The proposed approach integrates four complementary modalities: scene, face, audio, and text. Scene dynamics are captured with ...
Added: September 30, 2026
Toukach P., Glycobiology 2023 Vol. 33 No. 7 P. 528–531
Carbohydrates structures in the Carbohydrate Structure Database have been referenced to glycoepitopes from the Immune Epitope Database allowing users to explore the glycan structures in the context of epitopes they contain. Starting with an epitope, one can figure out the glycans from other organisms that share the same structural fragment, and retrieve the associated taxonomical, ...
Added: October 9, 2024
Philip V.Toukach, Egorova K. S., Computational and Structural Biotechnology Journal 2022 Vol. 20 P. 5466–5476
In this paper, we present the results of a systematic statistical analysis of the fungal glycome in comparison with the prokaryotic and protistal glycomes as described in the scientific literature and presented in the Carbohydrate Structure Database (CSDB). The monomeric and dimeric compositions of glycans, their non-carbohydrate modifications, glycosidic linkages, sizes of structures, branching degree ...
Added: October 24, 2022
Philip V Toukach, Scherbinina S. I., Frank M., Glycobiology 2022 Vol. 32 No. 6 P. 460–468
Population analysis in terms of glycosidic torsion angles is frequently used to reveal preferred conformers of glycans. However, due to high structural diversity and flexibility of carbohydrates, conformational characterization of complex glycans can be a challenging task. Herein we present a conformation module of oligosaccharide fragments occurring in natural glycan structures developed on the platform ...
Added: October 24, 2022
Toukach PV, Egorova K. S., Scientific data 2022 Vol. 9 Article 131
The Carbohydrate Structure Database (CSDB, http://csdb.glycoscience.ru/) is a free curated depository storing various data on glycans of bacterial, fungal and plant origins. Currently, it maintains a close-to-full coverage on bacterial and fungal carbohydrates up to the year 2020. The CSDB web-interface provides free access to the database content and dedicated tools. Still, the number of ...
Added: June 8, 2022
Bochkov A., Toukach Ph., Journal of Chemical Information and Modeling 2021 Vol. 61 No. 10 P. 4940–4948
This article describes features, usage, and application of an CSDB/SNFG Structure Editor, a new online tool for quick and intuitive input of carbohydrate and derivative structures using Symbol Nomenclature for Glycans (SNFG). The Editor is built on a platform of the Carbohydrate Structure Database (CSDB) and relies on its online services via the dedicated web-API. ...
Added: October 14, 2021
Egorova K., Smirnova N., Toukach Ph., Glycobiology 2021 Vol. 31 No. 5 P. 524–529
We report the accomplishment of the first stage of the development of a novel manually curated database on glycosyltransferase (GT) activities, CSDB_GT. CSDB_GT (http://csdb.glycoscience.ru/gt.html) has been supplemented with GT activities from Saccharomyces cerevisiae. Now it provides the close-to-complete coverage on experimentally confirmed GTs from the three most studied model organisms from the three kingdoms: Plantae ...
Added: October 14, 2021
Toukach Ph., Egorova K., Journal of Chemical Information and Modeling 2020 Vol. 60 No. 3 P. 1276–1289
The CSDB Linear notation for carbohydrate sequences utilized in the Carbohydrate Structure Database (CSDB) has been improved to meet modern requirements in glycoinformatics. The new features include the possibility to combine repeating and non-repeating moieties in one structure; support of carbon-carbon bonds; and usage of SMILES encodings for unambiguous chemical description of glycan structures, including ...
Added: October 14, 2021