Convergence of Free Energy Profile of Coumarin in Lipid Bilayer.
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Enhanced Sampling of Coarse-Grained Transmembrane-Peptide Structure Formation from Hydrogen-Bond Replica Exchange.A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulationsBack to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR?Structural perturbation of a dipalmitoylphosphatidylcholine (DPPC) bilayer by warfarin and its bolaamphiphilic analogue: A molecular dynamics studyTwo Relations to Estimate Membrane Permeability Using MilestoningPartitioning into Colloidal Structures of Fasted State Intestinal Fluid Studied by Molecular Dynamics Simulations.Simulation-Based Approaches for Determining Membrane Permeability of Small CompoundsDrug permeability prediction using PMF method.Photouncaging of ceramides promotes reorganization of liquid-ordered domains in supported lipid bilayers.Mechanistic studies of the apical sodium-dependent bile acid transporter.Entropy and Polarity Control the Partition and Transportation of Drug-like Molecules in Biological Membrane.Dynamics and energetics of the mammalian phosphatidylinositol transfer protein phospholipid exchange cycle.Combination of anti-hypertensive drugs: a molecular dynamics simulation study.Characterization of molecular association of poly(2-oxazoline)s-based micelles with various epoxides and diols via the Flory-Huggins theory: a molecular dynamics simulation approach.From dioxin to dioxin congeners: understanding the differences in hydrophobic aggregation in water and absorption into lipid membranes by means of atomistic simulations.Predicting solute partitioning in lipid bilayers: Free energies and partition coefficients from molecular dynamics simulations and COSMOmic.All-atom molecular dynamics simulations of an artificial sodium channel in a lipid bilayer: the effect of water solvation/desolvation of the sodium ion.Synergism of antioxidant action of vitamins E, C and quercetin is related to formation of molecular associations in biomembranesEnhanced Sampling in Molecular Dynamics Using Metadynamics, Replica-Exchange, and Temperature-Acceleration
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P2860
Convergence of Free Energy Profile of Coumarin in Lipid Bilayer.
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2012 nî lūn-bûn
@nan
2012年の論文
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2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
2012年论文
@zh
2012年论文
@zh-cn
name
Convergence of Free Energy Profile of Coumarin in Lipid Bilayer.
@en
Convergence of Free Energy Profile of Coumarin in Lipid Bilayer.
@nl
type
label
Convergence of Free Energy Profile of Coumarin in Lipid Bilayer.
@en
Convergence of Free Energy Profile of Coumarin in Lipid Bilayer.
@nl
prefLabel
Convergence of Free Energy Profile of Coumarin in Lipid Bilayer.
@en
Convergence of Free Energy Profile of Coumarin in Lipid Bilayer.
@nl
P2860
P50
P356
P1476
Convergence of Free Energy Profile of Coumarin in Lipid Bilayer.
@en
P2860
P304
P356
10.1021/CT2009208
P577
2012-02-24T00:00:00Z