Conformational and dynamical properties of disaccharides in water: a molecular dynamics study - Wikidata - awgldk - TriplyDB

Conformational and dynamical properties of disaccharides in water: a molecular dynamics study

Conformational and dynamical properties of disaccharides in water: a molecular dynamics study

http://www.wikidata.org/entity/Q34646721

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Structural and mutational analysis of substrate recognition in kojibiose phosphorylase Absolute Single-Molecule Entropies from Quasi-Harmonic Analysis of Microsecond Molecular Dynamics: Correction Terms and Convergence Properties Estimating absolute configurational entropies of macromolecules: the minimally coupled subspace approach Conformational properties of methyl β-maltoside and methyl α- and β-cellobioside disaccharides Water-membrane partition thermodynamics of an amphiphilic lipopeptide: an enthalpy-driven hydrophobic effect.Structural evidence for inter-residue hydrogen bonding observed for cellobiose in aqueous solution.Conformational properties of α- or β-(1→6)-linked oligosaccharides: Hamiltonian replica exchange MD simulations and NMR experiments.Unique aspects of the structure and dynamics of elementary Iβ cellulose microfibrils revealed by computational simulations.Molecular simulations of dodecyl-β-maltoside micelles in water: influence of the headgroup conformation and force field parameters Structural glycobiology: a game of snakes and ladders.Fructan and its relationship to abiotic stress tolerance in plants.Marine polysaccharides in microencapsulation and application to aquaculture: "from sea to sea".Hierarchical sampling for metastable conformers determines biomolecular recognition: the case of malectin and diglucosylated N-glycan interactions.sp2-Iminosugar O-, S-, and N-glycosides as conformational mimics of α-linked disaccharides; implications for glycosidase inhibition.Association of symmetrical alkane diols with pyridine: DFT/GIAO calculation of (1) H NMR chemical shifts.Solvent influence on cellulose 1,4-β-glycosidic bond cleavage: a molecular dynamics and metadynamics study.Structural and thermodynamic insights into β-1,2-glucooligosaccharide capture by a solute-binding protein in Listeria innocua.Solvents effects on the mechanism of cellulose hydrolysis: A QM/MM study Differential effects of oligosaccharides on the hydration of simple cations

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P2860

Conformational and dynamical properties of disaccharides in water: a molecular dynamics study

http://www.wikidata.org/entity/Q34646721

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2006 nî lūn-bûn

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2006 թուականի Մարտին հրատարակուած գիտական յօդուած

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2006 թվականի մարտին հրատարակված գիտական հոդված

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2006年の論文

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2006年学术文章

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2006年学术文章

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2006年学术文章

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2006年学术文章

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Conformational and dynamical p ...... er: a molecular dynamics study

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BIOPHYSJ.106.081539

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Biophysical Journal

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Conformational and dynamical p ...... er: a molecular dynamics study

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Cristina S Pereira

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David Kony

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Martin Müller

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Riccardo Baron

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Wilfred F van Gunsteren

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P2860

Gene duplications in the structural evolution of chymotrypsin

NMR and modelling studies of disaccharide conformation.

Interaction of the disaccharide trehalose with a phospholipid bilayer: a molecular dynamics study.

Chemical biology of the sugar code.

Ab initio computational study of beta-cellobiose conformers using B3LYP/6-311++G**.

A DFT/ab initio study of hydrogen bonding and conformational preference in model cellobiose analogs using B3LYP/6-311++G**.

Depicting the MM3 potential energy surfaces of trisaccharides by single contour maps: application to beta-cellotriose and alpha-maltotriose.

Anomeric configuration, glycosidic linkage, and the solution conformational entropy of O-linked disaccharides.

MM3 potential energy surfaces of the 2-linked glucosyl trisaccharides alpha-kojitriose and beta-sophorotriose.

Effect of methylation on the stability and solvation free energy of amylose and cellulose fragments: a molecular dynamics study.

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scholarly article

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10.1529/BIOPHYSJ.106.081539

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Philippe H Hünenberger

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