Multisequence algorithm for coarse-grained biomolecular simulations: Exploring the sequence-structure relationship of proteins

2017 ◽  
Vol 147 (9) ◽  
pp. 095102 ◽  
Author(s):  
A. Aina ◽  
S. Wallin
Keyword(s):  
Coarse Grained ◽  
Sequence Structure ◽  
Structure Relationship ◽  
Biomolecular Simulations ◽  
Relationship Of

scholarly journals Analyzing the sequence–structure relationship of a library of local structural prototypes

2009 ◽  
Vol 256 (2) ◽  
pp. 215-226 ◽  
Author(s):  
Cristina Benros ◽  
Alexandre G. de Brevern ◽  
Serge Hazout
Keyword(s):  
Sequence Structure ◽  
Structure Relationship ◽  
Relationship Of

Synthesis, properties, and magnetism–structure relationship of lanthanide-based metal–organic frameworks with (ethylenedithio)acetic acid

CrystEngComm ◽  
2014 ◽  
Vol 16 (30) ◽  
pp. 6963 ◽  
Author(s):  
Gui-lin Zhuang ◽  
Li Tan ◽  
Wu-lin Chen ◽  
Jia-qi Bai ◽  
Xing Zhong ◽  
...  
Keyword(s):  
Acetic Acid ◽  
Metal Organic Frameworks ◽  
Synthesis Properties ◽  
Structure Relationship ◽  
Metal Organic ◽  
Relationship Of

scholarly journals Screening of a Library of Oligosaccharides Targeting Lectin LecB of Pseudomonas Aeruginosa and Synthesis of High Affinity Oligoglycoclusters

Molecules ◽  
2018 ◽  
Vol 23 (12) ◽  
pp. 3073 ◽  
Author(s):  
Lucie Dupin ◽  
Mathieu Noël ◽  
Silvère Bonnet ◽  
Albert Meyer ◽  
Thomas Géhin ◽  
...  
Keyword(s):  
Pseudomonas Aeruginosa ◽  
Binding Sites ◽  
Biofilm Formation ◽  
Selective Advantage ◽  
Host Cells ◽  
Host Defenses ◽  
Negative Bacterium ◽  
High Affinity ◽  
Structure Relationship ◽  
Relationship Of

The Gram negative bacterium Pseudomonas aeruginosa (PA) is an opportunistic bacterium that causes severe and chronic infection of immune-depressed patients. It has the ability to form a biofilm that gives a selective advantage to the bacteria with respect to antibiotherapy and host defenses. Herein, we have focused on the tetrameric soluble lectin which is involved in bacterium adherence to host cells, biofilm formation, and cytotoxicity. It binds to l-fucose, d-mannose and glycan exposing terminal fucose or mannose. Using a competitive assay on microarray, 156 oligosaccharides and polysaccharides issued from fermentation or from the biomass were screened toward their affinity to LecB. Next, the five best ligands (Lewisa, Lewisb, Lewisx, siayl-Lewisx and 3-fucosyllactose) were derivatized with a propargyl aglycon allowing the synthesis of 25 trivalent, 25 tetravalent and 5 monovalent constructions thanks to copper catalyzed azide alkyne cycloaddition. The 55 clusters were immobilized by DNA Directed immobilization leading to the fabrication of a glycocluster microarray. Their binding to LecB was studied. Multivalency improved the binding to LecB. The binding structure relationship of the clusters is mainly influenced by the carbohydrate residues. Molecular simulations indicated that the simultaneous contact of both binding sites of monomer A and D seems to be energetically possible.

scholarly journals Mirco-level Insight into the Surface Tension-structure Relationship of Molten CaO–MgO–SiO2–FexO–P2O5 Slags

2021 ◽  
Vol 61 (11) ◽  
pp. 2765-2772
Author(s):  
Chengjun Liu ◽  
Rui Zhang ◽  
Yifan Meng ◽  
Zhen Wang ◽  
Shiyan Jiao ◽  
...  
Keyword(s):  
Surface Tension ◽  
Structure Relationship ◽  
Relationship Of ◽  
Insight Into ◽  
Tension Structure

Process–structure relationship of carbon/ polyphenylene sulfide commingled hybrid yarns used for thermoplastic composites

2015 ◽  
Vol 45 (6) ◽  
pp. 1661-1673 ◽  
Author(s):  
Jens Schäfer ◽  
Oleg Stolyarov ◽  
Rana Ali ◽  
Christoph Greb ◽  
Gunnar Seide ◽  
...  
Keyword(s):  
Polyphenylene Sulfide ◽  
Thermoplastic Composites ◽  
Structure Relationship ◽  
Relationship Of ◽  
Process Structure
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