Evaluation of carbohydrate molecular mechanical force fields by quantum mechanical calculations.

Evaluation of carbohydrate molecular mechanical force fields by quantum mechanical calculations.

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http://www.wikidata.org/entity/Q44792756
First principles insight into the alpha-glucan structures of starch: their synthesis, conformation, and hydration.Molecular dynamics studies of native and substituted cyclodextrins in different media: 1. Charge derivation and force field performances.GLYCAM06: a generalizable biomolecular force field. CarbohydratesAll-Atom Internal Coordinate Mechanics (ICM) Force Field for Hexopyranoses and Glycoproteins.Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant.Biomolecular simulation and modelling: status, progress and prospects.Pyranose ring conformations in mono- and oligosaccharides: a combined MD and DFT approach.Molecular dynamics simulation of dextran extension by constant force in single molecule AFM.POLYS 2.0: An open source software package for building three-dimensional structures of polysaccharides.Hydration of sugars in the gas phase: regioselectivity and conformational choice in N-acetyl glucosamine and glucose.Conformational choice and selectivity in singly and multiply hydrated monosaccharides in the gas phase.Polarimetry as a tool for the study of solutions of chiral solutes.Performance of four different force fields for simulations of dipeptide conformations: GlyGly, GlyGly-, GlyGly · Cl-, GlyGly · Na+ and GlyGly · (H2O)2.Complexity in molecular recognition
P2860

Evaluation of carbohydrate molecular mechanical force fields by quantum mechanical calculations.

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http://www.wikidata.org/entity/Q44792756
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2004 nî lūn-bûn
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2004年の論文
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2004年学术文章
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name
Evaluation of carbohydrate mol ...... antum mechanical calculations.
@en
Evaluation of carbohydrate mol ...... antum mechanical calculations.
@nl
type
label
Evaluation of carbohydrate mol ...... antum mechanical calculations.
@en
Evaluation of carbohydrate mol ...... antum mechanical calculations.
@nl
prefLabel
Evaluation of carbohydrate mol ...... antum mechanical calculations.
@en
Evaluation of carbohydrate mol ...... antum mechanical calculations.
@nl
P1433
P1476
P2093
P304
P31
P356
P433
P478
P50
P577
P5875
P698
P356
P1433
P1476
Evaluation of carbohydrate mol ...... antum mechanical calculations.
@en
P2093
P304
P31
P356
10.1016/J.CARRES.2003.11.024
P433
P478
P50
P577
P5875
P698