CHARMM additive all-atom force field for carbohydrate derivatives and its utility in polysaccharide and carbohydrate-protein modeling.
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Molecular Simulations of Gram-Negative Bacterial Membranes: A Vignette of Some Recent SuccessesThe Internal Dynamics of Fibrinogen and Its Implications for Coagulation and AdsorptionMechanism of lignin inhibition of enzymatic biomass deconstructionX-ray Structure and Molecular Dynamics Simulations of Endoglucanase 3 from Trichoderma harzianum: Structural Organization and Substrate Recognition by Endoglucanases That Lack Cellulose Binding ModuleStructural 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)P₂O-glycosylation effects on family 1 carbohydrate-binding module solution structuresThe Antiadhesive Strategy in Crohn's Disease: Orally Active Mannosides to Decolonize Pathogenic Escherichia coli from the GutA minimized human insulin-receptor-binding motif revealed in a Conus geographus venom insulinInvestigation of Carbohydrate Recognition via Computer SimulationImpact of ribosomal modification on the binding of the antibiotic telithromycin using a combined grand canonical monte carlo/molecular dynamics simulation approachTurning defense into offense: defensin mimetics as novel antibiotics targeting lipid IITowards Development of Small Molecule Lipid II Inhibitors as Novel AntibioticsRefinement of OprH-LPS Interactions by Molecular Simulations.CHARMM additive and polarizable force fields for biophysics and computer-aided drug designAromatic 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 simulationRestricted N-glycan conformational space in the PDB and its implication in glycan structure modeling.Glycosylated linkers in multimodular lignocellulose-degrading enzymes dynamically bind to celluloseMolecular 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 BacteriaStructural 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 SimulationMolecular 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 interactionspH-Responsive Self-Assembly of Polysaccharide through a Rugged Energy LandscapeDynamics 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 disaccharidesCD44 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.
description
2011 nî lūn-bûn
@nan
2011 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2011 թվականի հոտեմբերին հրատարակված գիտական հոդված
@hy
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
name
CHARMM additive all-atom force ...... carbohydrate-protein modeling.
@ast
CHARMM additive all-atom force ...... carbohydrate-protein modeling.
@en
CHARMM additive all-atom force ...... carbohydrate-protein modeling.
@nl
type
label
CHARMM additive all-atom force ...... carbohydrate-protein modeling.
@ast
CHARMM additive all-atom force ...... carbohydrate-protein modeling.
@en
CHARMM additive all-atom force ...... carbohydrate-protein modeling.
@nl
prefLabel
CHARMM additive all-atom force ...... carbohydrate-protein modeling.
@ast
CHARMM additive all-atom force ...... carbohydrate-protein modeling.
@en
CHARMM additive all-atom force ...... carbohydrate-protein modeling.
@nl
P2093
P2860
P356
P1476
CHARMM additive all-atom force ...... carbohydrate-protein modeling
@en
P2093
E Prabhu Raman
Elizabeth Hatcher
Francis W Jamison
Olgun Guvench
Sairam S Mallajosyula
Theresa J Foster
P2860
P304
P356
10.1021/CT200328P
P577
2011-10-01T00:00:00Z