CHARMM additive all-atom force field for aldopentofuranoses, methyl-aldopentofuranosides, and fructofuranose.
about
Molecular Simulations of Gram-Negative Bacterial Membranes: A Vignette of Some Recent SuccessesMolecular simulations of carbohydrates and protein-carbohydrate interactions: motivation, issues and prospectsRecent Developments and Applications of the CHARMM force fieldsImpact of ribosomal modification on the binding of the antibiotic telithromycin using a combined grand canonical monte carlo/molecular dynamics simulation approachAn Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent ApplicationsBamA POTRA Domain Interacts with a Native Lipid Membrane SurfaceRefinement of OprH-LPS Interactions by Molecular Simulations.CHARMM additive and polarizable force fields for biophysics and computer-aided drug designGlycan Reader: automated sugar identification and simulation preparation for carbohydrates and glycoproteins.Molecular dynamics and NMR spectroscopy studies of E. coli lipopolysaccharide structure and dynamics.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.CHARMM additive all-atom force field for glycosidic linkages in carbohydrates involving furanoses.E. coli outer membrane and interactions with OmpLA.Influence of solvent and intramolecular hydrogen bonding on the conformational properties of o-linked glycopeptidesCHARMM additive all-atom force field for carbohydrate derivatives and its utility in polysaccharide and carbohydrate-protein modeling.CHARMM-GUI Membrane Builder toward realistic biological membrane simulations.Carbohydrate force fieldsDevelopment of the CHARMM Force Field for Lipids.Solvation properties of N-acetyl-β-glucosamine: molecular dynamics study incorporating electrostatic polarization.Revealing the Mechanisms of Protein Disorder and N-Glycosylation in CD44-Hyaluronan Binding Using Molecular SimulationMolecular dynamics simulations of glycoproteins using CHARMM.Insight into Early-Stage Unfolding of GPI-Anchored Human Prion Protein.Conformational determinants of the activity of antiproliferative factor glycopeptide.Bifurcated hydrogen bonding and asymmetric fluctuations in a carbohydrate crystal studied via X-ray crystallography and computational analysis.Computational glycoscience: characterizing the spatial and temporal properties of glycans and glycan-protein complexes.Lipid-linked oligosaccharides in membranes sample conformations that facilitate binding to oligosaccharyltransferase.Challenges in structural approaches to cell modeling.Conformational flexibility of N-glycans in solution studied by REMD simulations.Delineating the conformational flexibility of trisaccharides from NMR spectroscopy experiments and computer simulations.Robustness in the fitting of molecular mechanics parameters.Enhanced conformational sampling using replica exchange with concurrent solute scaling and hamiltonian biasing realized in one dimension.EK3D: an E. coli K antigen 3-dimensional structure database.Conformational Heterogeneity of the HIV Envelope Glycan Shield.Conformational sampling of oligosaccharides using Hamiltonian replica exchange with two-dimensional dihedral biasing potentials and the weighted histogram analysis method (WHAM).All-atom polarizable force field for DNA based on the classical Drude oscillator modelOptimizing Solute-Solute Interactions in the GLYCAM06 and CHARMM36 Carbohydrate Force Fields Using Osmotic Pressure Measurements.Lipopolysaccharide membrane building and simulation.CHARMM Additive All-Atom Force Field for Phosphate and Sulfate Linked to Carbohydrates.Insights into furanose solution conformations: beyond the two-state model.
P2860
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P2860
CHARMM additive all-atom force field for aldopentofuranoses, methyl-aldopentofuranosides, and fructofuranose.
description
2009 nî lūn-bûn
@nan
2009 թուականի Սեպտեմբերին հրատարակուած գիտական յօդուած
@hyw
2009 թվականի սեպտեմբերին հրատարակված գիտական հոդված
@hy
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
name
CHARMM additive all-atom force ...... ranosides, and fructofuranose.
@ast
CHARMM additive all-atom force ...... ranosides, and fructofuranose.
@en
type
label
CHARMM additive all-atom force ...... ranosides, and fructofuranose.
@ast
CHARMM additive all-atom force ...... ranosides, and fructofuranose.
@en
prefLabel
CHARMM additive all-atom force ...... ranosides, and fructofuranose.
@ast
CHARMM additive all-atom force ...... ranosides, and fructofuranose.
@en
P2860
P356
P1476
CHARMM additive all-atom force ...... uranosides, and fructofuranose
@en
P2093
Elizabeth Hatcher
Olgun Guvench
P2860
P304
12466-12476
P356
10.1021/JP905496E
P407
P577
2009-09-01T00:00:00Z