Computer simulation of the distribution of hexane in a lipid bilayer: spatially resolved free energy, entropy, and enthalpy profiles.
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Hydrophobic compounds reshape membrane domainsCharge equilibration force fields for molecular dynamics simulations of lipids, bilayers, and integral membrane protein systems.Thermodynamics and 2H NMR study on the insertion of small quinones into a discotic nematic lyotropic liquid crystal.Lipid bilayer structure determined by the simultaneous analysis of neutron and X-ray scattering data.Partitioning of nonsteroidal antiinflammatory drugs in lipid membranes: a molecular dynamics simulation study.Simulation of nanoparticle permeation through a lipid membrane.Atomistic models of general anesthetics for use in in silico biological studiesStructural, dynamic, and electrostatic properties of fully hydrated DMPC bilayers from molecular dynamics simulations accelerated with graphical processing units (GPUs).Partitioning and localization of environment-sensitive 2-(2'-pyridyl)- and 2-(2'-pyrimidyl)-indoles in lipid membranes: a joint refinement using fluorescence measurements and molecular dynamics simulations.Reparameterization of all-atom dipalmitoylphosphatidylcholine lipid parameters enables simulation of fluid bilayers at zero tension.Molecular dynamics simulation of hydrated DPPC monolayers using charge equilibration force fieldsDistribution of amino acids in a lipid bilayer from computer simulations.Computer simulations of transport through membranes: passive diffusion, pores, channels and transporters.Modeling kinetics of subcellular disposition of chemicals.The fusion of membranes and vesicles: pathway and energy barriers from dissipative particle dynamics.Molecular dynamics simulations of a DMPC bilayer using nonadditive interaction models.Charge equilibration force fields for lipid environments: applications to fully hydrated DPPC bilayers and DMPC-embedded gramicidin A.Advances in the understanding of nanomaterial-biomembrane interactions and their mathematical and numerical modeling.Substrate efflux propensity is the key determinant of Ca2+-independent phospholipase A-β (iPLAβ)-mediated glycerophospholipid hydrolysisIdentification of Distinct Conformations of the Angiotensin-II Type 1 Receptor Associated with the Gq/11 Protein Pathway and the β-Arrestin Pathway Using Molecular Dynamics Simulations.Substrate efflux propensity plays a key role in the specificity of secretory A-type phospholipases.Convergence of Free Energy Profile of Coumarin in Lipid Bilayer.Critical hydrogen bond formation for activation of the angiotensin II type 1 receptor.Partitioning of amino acid side chains into lipid bilayers: results from computer simulations and comparison to experiment.Indole localization in lipid membranes revealed by molecular simulation.Physicochemical study of the acetonitrile insertion into polypyrrole films.Effects of cholesterol concentration on the interaction of cytarabine with lipid membranes: a molecular dynamics simulation study.Experimental and theoretical studies of emodin interacting with a lipid bilayer of DMPC.Free-energy analysis of the molecular binding into lipid membrane with the method of energy representation.Entropy and Polarity Control the Partition and Transportation of Drug-like Molecules in Biological Membrane.Acceleration of coarse grain molecular dynamics on GPU architectures.Predicting solute partitioning in lipid bilayers: Free energies and partition coefficients from molecular dynamics simulations and COSMOmic.Enhanced Sampling in Molecular Dynamics Using Metadynamics, Replica-Exchange, and Temperature-AccelerationDiffusion of the small, very polar, drug piracetam through a lipid bilayer: an MD simulation study
P2860
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P2860
Computer simulation of the distribution of hexane in a lipid bilayer: spatially resolved free energy, entropy, and enthalpy profiles.
description
2006 nî lūn-bûn
@nan
2006年の論文
@ja
2006年学术文章
@wuu
2006年学术文章
@zh
2006年学术文章
@zh-cn
2006年学术文章
@zh-hans
2006年学术文章
@zh-my
2006年学术文章
@zh-sg
2006年學術文章
@yue
2006年學術文章
@zh-hant
name
Computer simulation of the dis ...... ntropy, and enthalpy profiles.
@en
Computer simulation of the dis ...... ntropy, and enthalpy profiles.
@nl
type
label
Computer simulation of the dis ...... ntropy, and enthalpy profiles.
@en
Computer simulation of the dis ...... ntropy, and enthalpy profiles.
@nl
prefLabel
Computer simulation of the dis ...... ntropy, and enthalpy profiles.
@en
Computer simulation of the dis ...... ntropy, and enthalpy profiles.
@nl
P356
P1476
Computer simulation of the dis ...... ntropy, and enthalpy profiles.
@en
P2093
D Peter Tieleman
Justin L MacCallum
P304
P356
10.1021/JA0535099
P407
P577
2006-01-01T00:00:00Z