CHARMM additive all-atom force field for carbohydrate derivatives and its utility in polysaccharide and carbohydrate-protein modeling. - Test2 - elhamkhani - TriplyDB

CHARMM additive all-atom force field for carbohydrate derivatives and its utility in polysaccharide and carbohydrate-protein modeling.

CHARMM additive all-atom force field for carbohydrate derivatives and its utility in polysaccharide and carbohydrate-protein modeling.

http://www.wikidata.org/entity/Q34085563

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Molecular Simulations of Gram-Negative Bacterial Membranes: A Vignette of Some Recent Successes The Internal Dynamics of Fibrinogen and Its Implications for Coagulation and Adsorption Mechanism of lignin inhibition of enzymatic biomass deconstruction X-ray Structure and Molecular Dynamics Simulations of Endoglucanase 3 from Trichoderma harzianum: Structural Organization and Substrate Recognition by Endoglucanases That Lack Cellulose Binding Module Structural characterization of a unique marine animal family 7 cellobiohydrolase suggests a mechanism of cellulase salt tolerance.TRPV4 channel activity is modulated by direct interaction of the ankyrin domain to PI(4,5)P₂ O-glycosylation effects on family 1 carbohydrate-binding module solution structures The Antiadhesive Strategy in Crohn's Disease: Orally Active Mannosides to Decolonize Pathogenic Escherichia coli from the Gut A minimized human insulin-receptor-binding motif revealed in a Conus geographus venom insulin Investigation of Carbohydrate Recognition via Computer Simulation Impact of ribosomal modification on the binding of the antibiotic telithromycin using a combined grand canonical monte carlo/molecular dynamics simulation approach Turning defense into offense: defensin mimetics as novel antibiotics targeting lipid II Towards Development of Small Molecule Lipid II Inhibitors as Novel Antibiotics Refinement of OprH-LPS Interactions by Molecular Simulations.CHARMM additive and polarizable force fields for biophysics and computer-aided drug design Aromatic anchor at an invariant hormone-receptor interface: function of insulin residue B24 with application to protein design.Mutation of Tyr137 of the universal Escherichia coli fimbrial adhesin FimH relaxes the tyrosine gate prior to mannose binding.Multiple functions of aromatic-carbohydrate interactions in a processive cellulase examined with molecular simulation Restricted N-glycan conformational space in the PDB and its implication in glycan structure modeling.Glycosylated linkers in multimodular lignocellulose-degrading enzymes dynamically bind to cellulose Molecular dynamics and NMR spectroscopy studies of E. coli lipopolysaccharide structure and dynamics.Conformational properties of α- or β-(1→6)-linked oligosaccharides: Hamiltonian replica exchange MD simulations and NMR experiments.Perturbation of long-range water dynamics as the mechanism for the antifreeze activity of antifreeze glycoprotein.CHARMM Drude Polarizable Force Field for Aldopentofuranoses and Methyl-aldopentofuranosides.Glycan Reader is Improved to Recognize Most Sugar Types and Chemical Modifications in the Protein Data Bank.Development of a glycoconjugate vaccine to prevent invasive Salmonella Typhimurium infections in sub-Saharan Africa.Polarizable empirical force field for hexopyranose monosaccharides based on the classical Drude oscillator.Molecular dynamics analysis of apolipoprotein-D-lipid hydroperoxide interactions: mechanism for selective oxidation of Met-93.Extension of the CHARMM General Force Field to sulfonyl-containing compounds and its utility in biomolecular simulations.Terminal sialic acids on CD44 N-glycans can block hyaluronan binding by forming competing intramolecular contacts with arginine sidechains.Bilayer Properties of Lipid A from Various Gram-Negative Bacteria Structural features of membrane-bound glucocerebrosidase and α-synuclein probed by neutron reflectometry and fluorescence spectroscopy.All-Atom Internal Coordinate Mechanics (ICM) Force Field for Hexopyranoses and Glycoproteins.Revealing the Mechanisms of Protein Disorder and N-Glycosylation in CD44-Hyaluronan Binding Using Molecular Simulation Molecular dynamics simulations of glycoproteins using CHARMM.Solution NMR characterization of chemokine CXCL8/IL-8 monomer and dimer binding to glycosaminoglycans: structural plasticity mediates differential binding interactions pH-Responsive Self-Assembly of Polysaccharide through a Rugged Energy Landscape Dynamics and Interactions of OmpF and LPS: Influence on Pore Accessibility and Ion Permeability.Sulfation and cation effects on the conformational properties of the glycan backbone of chondroitin sulfate disaccharides CD44 receptor unfolding enhances binding by freeing basic amino acids to contact carbohydrate ligand.

P2860

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P2860

CHARMM additive all-atom force field for carbohydrate derivatives and its utility in polysaccharide and carbohydrate-protein modeling.

http://www.wikidata.org/entity/Q34085563

description

2011 nî lūn-bûn

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2011 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած

@hyw

2011 թվականի հոտեմբերին հրատարակված գիտական հոդված

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2011年の論文

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2011年論文

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2011年論文

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2011年論文

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2011年論文

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2011年論文

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2011年论文

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name

CHARMM additive all-atom force ...... carbohydrate-protein modeling.

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CHARMM additive all-atom force ...... carbohydrate-protein modeling.

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CHARMM additive all-atom force ...... carbohydrate-protein modeling.

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type

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CHARMM additive all-atom force ...... carbohydrate-protein modeling.

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CHARMM additive all-atom force ...... carbohydrate-protein modeling.

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CHARMM additive all-atom force ...... carbohydrate-protein modeling.

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CHARMM additive all-atom force ...... carbohydrate-protein modeling.

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CHARMM additive all-atom force ...... carbohydrate-protein modeling.

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CHARMM additive all-atom force ...... carbohydrate-protein modeling.

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Journal of Chemical Theory and Computation

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CHARMM additive all-atom force ...... carbohydrate-protein modeling

@en

P2093

E Prabhu Raman

http://www.w3.org/2001/XMLSchema#string

Elizabeth Hatcher

http://www.w3.org/2001/XMLSchema#string

Francis W Jamison

http://www.w3.org/2001/XMLSchema#string

Olgun Guvench

http://www.w3.org/2001/XMLSchema#string

Sairam S Mallajosyula

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Theresa J Foster

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P2860

Canonical dynamics: Equilibrium phase-space distributions

Solvent interactions determine carbohydrate conformation

CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields

CHARMM: the biomolecular simulation program

Structures of the Cd44-hyaluronan complex provide insight into a fundamental carbohydrate-protein interaction

A designed chimeric cyanovirin-N homolog lectin: Structure and molecular basis of sucrose binding

All-atom empirical potential for molecular modeling and dynamics studies of proteins

Comparative protein structure modeling of genes and genomes

Scalable molecular dynamics with NAMD

Comparative protein modelling by satisfaction of spatial restraints

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3162-3180

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scholarly article

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10.1021/CT200328P

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10

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7

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Kenno Vanommeslaeghe

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2011-10-01T00:00:00Z

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51838354

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22125473

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polysaccharides

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3224046

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