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21 de feb. de 2022 · The Young and the Restless Recaps: The week of February 28, 2022 on Y&R Victor ordered Ashland to feign a relapse and cut all ties to Victoria. Ashland appeared to go along with Victor's plan until he received a text message that implied Michael had been silenced.
The Young and the Restless - Temporada 39: Isabella Braña Williams (2001-2003) - Producción. Año Título Trabajo Nota de los usuarios; 2023 Flamin' Hot: La historia de los Cheetos picantes:
The Young and the Restless - Temporada 39: Isabella Braña Williams (2001-2003) - Produção. Ano Título Profissão Nota do usuário; 2023 Flamin’ Hot: O Sabor que Mudou a História:
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- Introduction
- Results
- Discussion
- Conclusions
- Authors’ Contributions
- Funding
- Data Availability
- Abbreviations
Spatial features of glycans play a crucial role in many biological processes (Varki 2017), including molecular recognition (Ardá and Jiménez-Barbero 2018; Gimeno et al. 2019; McMahon et al. 2020), cell adhesion regulation (Preston et al. 2016; Cai et al. 2017; Krautter and Iqbal 2021), and host–pathogen interactions (Stone et al. 2016; Sauer et al....
Web interface
User interface of CSDB conformation module can be freely accessed at http://csdb.glycoscience.ru/database/core/search_conf.html. Simulation parameters used to generate maps are provided alongside the data (see Fig. 3) for easier estimation of potential limitations of the method. User can search conformational maps by using any of the following criteria (numeric labels are shown in Fig. 1): 1. Conformation ID: Unique map identifier. Ranges and lists for internal IDs are supported, e.g. “1, 3,...
Programmatic implementation
To store calculated conformational data, we developed a subdatabase consisting of 3 tables interlinked with main CSDB table space (Fig. 3). Each conformer (“id”) from a generated ensemble (“compound_id” + sampling conditions) can have multiple energy minima according to its population distribution against the linkage dihedrals and a number of linkages in a structural fragment. Thus, “conf_minima” table can have multiple rows with the same “conf_id” but different “id(s).” One minimum can imply...
GlycoMapsDB import
GlycoMapsDB archive of calculated conformational maps was adopted for processing and resulted in XML datasets of the same type as those described below (see Dataset preparation section). Trajectories of 1,891 carbohydrate fragments (from di- to pentasaccharides, see Supplementary Table S1) were generated (Frank et al. 2007) by in vacuo HTMD simulations at 1,000 K using MM3-1996 force field (Allinger et al. 1989). Processed conformational data were recorded in XML files automatically using Con...
Dataset preparation
To obtain a fragment pool representing natural glycans, a close attention should be paid to how branched parts of a structure are fragmentized. In order to provide a comprehensive view of conformational dynamics of characteristic/widespread bioglycan fragments, we introduced an approach to split complex structures into oligosaccharides. Disaccharide was considered as the smallest possible fragment that can grow bigger due to the presence of other residues in vicinity to the branching point. T...
Automated pipeline
For automated population of the conformation module with conformational maps, we developed a pipeline to process the selected fragments (Fig. 4). With the aid of the API of REStLESS molecular geometry generator (http://csdb.glycoscience.ru/csdb2atoms.html, format = pdb or pdbg, ionize = 1), CSDB Linear encoded carbohydrate sequences were converted to atomic coordinates, producing starting geometries for further computations (Fig. 4, 1). Ionogenic groups (e.g. −NH2, −CO2H, and −OPO3H2) in gene...
The CSDB was extended by a conformation module that was designed to provide detailed information on the conformational preferences of small oligosaccharides in terms of dihedral distributions. The data were derived from explicit water MD simulations. The module is equipped with a web interface and gives access to conformational energy maps of inter...
S.I.S. and P.V.T. wrote the manuscript, and all authors have revised the final text; P.V.T. designed the CSDB conformation module; S.I.S. designed the automated pipeline; M.F. provided the GlycoMapsDB archive and CAT software; P.V.T., S.I.S., and M.F. participated in initial discussions on the module. All authors have given approval to the final ve...
This work was funded by Russian Science Foundation (grant 18-14-00098-P). Conflict of interest statement: None declared.
CSDB conformation module is freely accessible at http://csdb.glycoscience.ru/database/core/search_conf.html. Supplementary Tables S1–S5 and Supplementary Figs. S4–S5 are available in the online Supplementary Data of the article. The data underlying this article are available in Zenodo repository at https://zenodo.org/record/5884267, and can be acce...
API, application programming interface; CSDB, Carbohydrate Structure DataBase; HTMD, high-temperature molecular dynamics; MD, molecular dynamics; PDB, Protein Data Bank; REStLESS, ResiduEs as SMILES and LinkagEs as SMILES Arbitrary Target Specification; SMILES, Simplified Molecular Input Line Entry Specification; SNFG, Symbol Nomenclature For Glyca...
4 de mar. de 2022 · Experiencing aggression among adolescents is a phenomenon worthy of great attention. In our cross-sectional study, we used several assessments, including PSQI, NDQ-CV, CADSS, MFI-20, and suicide risk module of the MINI to assess the incidence of experiencing aggression and its association with sleep disturbances and suicide risks among Chinese adolescents.
