Results 11 to 20 of about 37,965 (275)

Simulations of carbohydrate conformational dynamics and thermodynamics

open access: green, 2003
In this thesis, free energy calculations are employed to establish the conformation freedom of selected carbohydrates. The focus is on the biologically important (1-4)-linked glucans, although the α(1-1) α and α(1-6) linkages are also investigated. Two principal types of potential of mean force (PMF) caltulation are used: free energy calculations for ...
Michelle M. Kuttel
openalex   +2 more sources

Conformational studies in carbohydrate chemistry

open access: green, 1963
I. The Rates of Formation of Some Hexoside 2,3-Epoxides The secondary tosylates of some 4,6-0-ethylidene derivatives of compounds with the D-glucose configuration have been prepared, and their rates of cyclisation to 2,3-epoxides in alkaline solution have been measured.
H. D. Mathewson
openalex   +2 more sources

Enhanced conformational sampling of carbohydrates by Hamiltonian replica-exchange simulation [PDF]

open access: bronzeGlycobiology, 2013
Knowledge of the structure and conformational flexibility of carbohydrates in an aqueous solvent is important to improving our understanding of how carbohydrates function in biological systems. In this study, we extend a variant of the Hamiltonian replica-exchange molecular dynamics (MD) simulation to improve the conformational sampling of saccharides ...
Sushil K. Mishra   +3 more
openalex   +5 more sources

Chiral Monophosphites Derived from Carbohydrate: Conformational Effect in Catalytic Asymmetric Hydrogenation. [PDF]

open access: greenChemInform, 2004
AbstractFor Abstract see ChemInform Abstract in Full Text.
Hanmin Huang   +5 more
openalex   +4 more sources

Influence of Trp flipping on carbohydrate binding in lectins. An example on Aleuria aurantia lectin AAL. [PDF]

open access: yesPLoS ONE, 2017
Protein-carbohydrate interactions are very often mediated by the stacking CH-π interactions involving the side chains of aromatic amino acids such as tryptophan (Trp), tyrosine (Tyr) or phenylalanine (Phe).
Josef Houser   +6 more
doaj   +1 more source

Carbohydrate Structure Database oligosaccharide conformation tool

open access: yesGlycobiology, 2022
Abstract 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.
Sofya I Scherbinina   +2 more
openaire   +2 more sources

Glycopolymer-Wrapped Carbon Nanotubes Show Distinct Interaction of Carbohydrates With Lectins

open access: yesFrontiers in Chemistry, 2022
Glyconanomaterials with unique nanoscale property and carbohydrate functionality show vast potential in biological and biomedical applications. We investigated the interactions of noncovalent complexes of single-wall carbon nanotubes that are wrapped by ...
Ana M. DiLillo   +4 more
doaj   +1 more source

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