Derivation and systematic validation of a refined all-atom force field for phosphatidylcholine lipids
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Structural Significance of Lipid Diversity as Studied by Small Angle Neutron and X-ray ScatteringToward Atomistic Resolution Structure of Phosphatidylcholine Headgroup and Glycerol Backbone at Different Ambient ConditionsNanoscale Membrane Domain Formation Driven by Cholesterol.Lipid14: The Amber Lipid Force Field.Lipid converter, a framework for lipid manipulations in molecular dynamics simulationsLiquid but durable: molecular dynamics simulations explain the unique properties of archaeal-like membranesComparing simulations of lipid bilayers to scattering data: the GROMOS 43A1-S3 force field.Lipid-associated aggregate formation of superoxide dismutase-1 is initiated by membrane-targeting loops.Defeating Bacterial Resistance and Preventing Mammalian Cells Toxicity Through Rational Design of Antibiotic-Functionalized Nanoparticles.Structural dynamics and conformational equilibria of SERCA regulatory proteins in membranes by solid-state NMR restrained simulations.Disorder in cholesterol-binding functionality of CRAC peptides: a molecular dynamics study.On calculation of the electrostatic potential of a phosphatidylinositol phosphate-containing phosphatidylcholine lipid membrane accounting for membrane dynamics.Ensemble-based virtual screening for cannabinoid-like potentiators of the human glycine receptor α1 for the treatment of pain.Visualizing KcsA conformational changes upon ion binding by infrared spectroscopy and atomistic modeling.Binding of the Antagonist Caffeine to the Human Adenosine Receptor hA2AR in Nearly Physiological ConditionsApolipoprotein A-I mimetic peptide 4F blocks sphingomyelinase-induced LDL aggregationStructural Determinants for the Binding of Morphinan Agonists to the μ-Opioid ReceptorCloning and Expression of β-Defensin from Soiny Mullet (Liza haematocheila), with Insights of its Antibacterial MechanismHydration Dynamics of a Peripheral Membrane Protein.HIV-1 Tat membrane interactions probed using X-ray and neutron scattering, CD spectroscopy and MD simulationsATP Hydrolysis Induced Conformational Changes in the Vitamin B12 Transporter BtuCD Revealed by MD Simulations.Three-dimensional modelling of the voltage-gated sodium ion channel from Anopheles gambiae reveals spatial clustering of evolutionarily conserved acidic residues at the extracellular sites.CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field.Binding Characteristics of Sphingosine-1-Phosphate to ApoM hints to Assisted Release Mechanism via the ApoM Calyx-Opening.Acetylation within the First 17 Residues of Huntingtin Exon 1 Alters Aggregation and Lipid Binding.Sphingolipids contribute to acetic acid resistance in Zygosaccharomyces bailii.Partitioning into Colloidal Structures of Fasted State Intestinal Fluid Studied by Molecular Dynamics Simulations.Characteristics of Sucrose Transport through the Sucrose-Specific Porin ScrY Studied by Molecular Dynamics Simulations.Drude Polarizable Force Field for Molecular Dynamics Simulations of Saturated and Unsaturated Zwitterionic LipidsAn annular lipid belt is essential for allosteric coupling and viral inhibition of the antigen translocation complex TAP (transporter associated with antigen processing).Multiscale Modelling of Bionano Interface.New Insights into Molecular Organization of Human Neuraminidase-1: Transmembrane Topology and Dimerization Ability.Lipid bilayer thickness determines cholesterol's location in model membranes.Simulation of lipid bilayer self-assembly using all-atom lipid force fields.Molecular aspects of the interaction between Mason-Pfizer monkey virus matrix protein and artificial phospholipid membrane.3D hydrophobic moment vectors as a tool to characterize the surface polarity of amphiphilic peptides.Synaptobrevin Transmembrane Domain Dimerization Studied by Multiscale Molecular Dynamics Simulations.EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions.MemGen: a general web server for the setup of lipid membrane simulation systems.Influence of doxorubicin on model cell membrane properties: insights from in vitro and in silico studies.
P2860
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P2860
Derivation and systematic validation of a refined all-atom force field for phosphatidylcholine lipids
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
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
Derivation and systematic vali ...... for phosphatidylcholine lipids
@ast
Derivation and systematic vali ...... for phosphatidylcholine lipids
@en
type
label
Derivation and systematic vali ...... for phosphatidylcholine lipids
@ast
Derivation and systematic vali ...... for phosphatidylcholine lipids
@en
prefLabel
Derivation and systematic vali ...... for phosphatidylcholine lipids
@ast
Derivation and systematic vali ...... for phosphatidylcholine lipids
@en
P2860
P356
P1476
Derivation and systematic vali ...... for phosphatidylcholine lipids
@en
P2093
Joakim P M Jämbeck
P2860
P304
P356
10.1021/JP212503E
P407
P577
2012-03-01T00:00:00Z