Puckering free energy of pyranoses: A NMR and metadynamics-umbrella sampling investigation.

Puckering free energy of pyranoses: A NMR and metadynamics-umbrella sampling investigation.

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http://www.wikidata.org/entity/Q42910974
Testing of the GROMOS Force-Field Parameter Set 54A8: Structural Properties of Electrolyte Solutions, Lipid Bilayers, and ProteinsConformational properties of α- or β-(1→6)-linked oligosaccharides: Hamiltonian replica exchange MD simulations and NMR experiments.Dependence of pyranose ring puckering on anomeric configuration: methyl idopyranosidesPyranose ring conformations in mono- and oligosaccharides: a combined MD and DFT approach.String method for calculation of minimum free-energy paths in Cartesian space in freely-tumbling systems.Conformational sampling of oligosaccharides using Hamiltonian replica exchange with two-dimensional dihedral biasing potentials and the weighted histogram analysis method (WHAM).Unbinding free energy of acetylcholinesterase bound oxime drugs along the gorge pathway from metadynamics-umbrella sampling investigation.The conformational flexibility of nucleic acid bases paired in gas phase: a Car-Parrinello molecular dynamics study.In silico insights into the solvation characteristics of the ionic liquid 1-methyltriethoxy-3-ethylimidazolium acetate for cellulosic biomass.Sampling free energy surfaces as slices by combining umbrella sampling and metadynamics.Effects of varying the 6-position oxidation state of hexopyranoses: a systematic comparative computational analysis of 48 monosaccharide stereoisomers.The complete conformational free energy landscape of β-xylose reveals a two-fold catalytic itinerary for β-xylanases.
P2860

Puckering free energy of pyranoses: A NMR and metadynamics-umbrella sampling investigation.

Item
http://www.wikidata.org/entity/Q42910974
description
2010 nî lūn-bûn
@nan
2010年の論文
@ja
2010年論文
@yue
2010年論文
@zh-hant
2010年論文
@zh-hk
2010年論文
@zh-mo
2010年論文
@zh-tw
2010年论文
@wuu
2010年论文
@zh
2010年论文
@zh-cn
name
Puckering free energy of pyran ...... brella sampling investigation.
@en
Puckering free energy of pyran ...... brella sampling investigation.
@nl
type
label
Puckering free energy of pyran ...... brella sampling investigation.
@en
Puckering free energy of pyran ...... brella sampling investigation.
@nl
prefLabel
Puckering free energy of pyran ...... brella sampling investigation.
@en
Puckering free energy of pyran ...... brella sampling investigation.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698
P818
P356
P1433
P1476
Puckering free energy of pyran ...... brella sampling investigation.
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698
P818