An improved united atom force field for simulation of mixed lipid bilayers.

scientific article published in March 2009

An improved united atom force field for simulation of mixed lipid bilayers. is …
instance of (P31):
scholarly articleQ13442814

External links are
P356DOI10.1021/JP807056C
P698PubMed publication ID19708111

P2093author name stringEric Jakobsson
H L Scott
Sagar A Pandit
See-Wing Chiu
P433issue9
P407language of work or nameEnglishQ1860
P921main subjectforce fieldQ1341441
P1104number of pages16
P304page(s)2748-2763
P577publication date2009-03-01
P1433published inJournal of Physical Chemistry BQ668669
P1476titleAn improved united atom force field for simulation of mixed lipid bilayers.
P478volume113

Reverse relations

cites work (P2860)
Q41572040A Parameterization of Cholesterol for Mixed Lipid Bilayer Simulation within the Amber Lipid14 Force Field.
Q47263447Accelerating potential of mean force calculations for lipid membrane permeation: System size, reaction coordinate, solute-solute distance, and cutoffs
Q34337401Acceleration of Lateral Equilibration in Mixed Lipid Bilayers Using Replica Exchange with Solute Tempering
Q50971668Acetazolamide Inhibits the Level of Tyrosinase and Melanin: An Enzyme Kinetic, In Vitro, In Vivo, and In Silico Studies.
Q28554384An Amphotericin B Derivative Equally Potent to Amphotericin B and with Increased Safety
Q48048201An averaged polarizable potential for multiscale modeling in phospholipid membranes.
Q37645100Atomistic Monte Carlo simulation of lipid membranes
Q46081965Biomembrane simulations of 12 lipid types using the general amber force field in a tensionless ensemble.
Q41502302Characterization of 3D Voronoi tessellation nearest neighbor lipid shells provides atomistic lipid disruption profile of protein containing lipid membranes.
Q34056688Cholesterol orientation and tilt modulus in DMPC bilayers
Q30612815Comparing simulations of lipid bilayers to scattering data: the GROMOS 43A1-S3 force field.
Q47811588Computational analysis of histidine mutations on the structural stability of human tyrosinases leading to albinism insurgence.
Q90131372Computer simulations of protein-membrane systems
Q34706641Conjugated double bonds in lipid bilayers: a molecular dynamics simulation study
Q35873948Derivation and systematic validation of a refined all-atom force field for phosphatidylcholine lipids
Q40970657Development of highly potent melanogenesis inhibitor by in vitro, in vivo and computational studies
Q54200419Docking and molecular dynamics simulation study of EGFR1 with EGF-like peptides to understand molecular interactions.
Q57816301Dynamic Interactions between Lipid-Tethered DNA and Phospholipid Membranes
Q37374180Effect of cholesterol on structural and mechanical properties of membranes depends on lipid chain saturation
Q41050477Effect of head group and lipid tail oxidation in the cell membrane revealed through integrated simulations and experiments
Q41068840Effect of lipid peroxidation on membrane permeability of cancer and normal cells subjected to oxidative stress
Q52672627Effect of monoglycerides and fatty acids on a ceramide bilayer.
Q41127049Effects of Coarse Graining and Saturation of Hydrocarbon Chains on Structure and Dynamics of Simulated Lipid Molecules.
Q43742472Effects of cholesterol concentration on the interaction of cytarabine with lipid membranes: a molecular dynamics simulation study.
Q34174093Effects of truncating van der Waals interactions in lipid bilayer simulations
Q51182069Evaluation of the hybrid resolution PACE model for the study of folding, insertion, and pore formation of membrane associated peptides.
Q54107709Exploring the mechanistic insights of Cas scaffolding protein family member 4 with protein tyrosine kinase 2 in Alzheimer's disease by evaluating protein interactions through molecular docking and dynamic simulations.
Q38925680Extension of CAVS coarse-grained model to phospholipid membranes: The importance of electrostatics.
Q28542392Force transduction and lipid binding in MscL: a continuum-molecular approach
Q36775158Function-oriented development of CXCR4 antagonists as selective human immunodeficiency virus (HIV)-1 entry inhibitors
Q33469570Hampering Effect of Cholesterol on the Permeation of Reactive Oxygen Species through Phospholipids Bilayer: Possible Explanation for Plasma Cancer Selectivity
Q48104878How does ytterbium chloride interact with DMPC bilayers? A computational and experimental study
Q47616970Identification of novel inhibitors against UDP-galactopyranose mutase to combat leishmaniasis.
Q41438092Impact of sterol tilt on membrane bending rigidity in cholesterol and 7DHC-containing DMPC membranes
Q99591301Influence of Membrane Phase on the Optical Properties of DPH
Q49971161Insertion of dengue E into lipid bilayers studied by neutron reflectivity and molecular dynamics simulations.
Q40525437Intrinsic GTPase activity of a ribosomal maturation protein CgtA is associated with its inter-domain movement: insights from MD simulations and biochemical studies
Q36990385Introductory lecture: basic quantities in model biomembranes.
Q42607310LIPID11: a modular framework for lipid simulations using amber
Q30370163Lipid converter, a framework for lipid manipulations in molecular dynamics simulations
Q30362297Lipid14: The Amber Lipid Force Field.
Q50225221Location and Effects of an Antitumoral Catechin on the Structural Properties of Phosphatidylethanolamine Membranes.
Q47827245MemBuilder: a web-based graphical interface to build heterogeneously mixed membrane bilayers for the GROMACS biomolecular simulation program.
Q40957842MemGen: a general web server for the setup of lipid membrane simulation systems
Q55346213Molecular Docking and Dynamic Simulation of AZD3293 and Solanezumab Effects Against BACE1 to Treat Alzheimer's Disease.
Q48089312Molecular Dynamics Validation of Crizotinib Resistance to ALK Mutations (L1196M and G1269A) and Identification of Specific Inhibitors.
Q35559112Molecular dynamic simulation study of cholesterol and conjugated double bonds in lipid bilayers
Q46111184Molecular dynamics simulations on the interaction of the transmembrane NavAb channel with cholesterol and lipids in the membrane
Q37147589Multiscale simulations of heterogeneous model membranes
Q83218010Nonintercalating nanosubstrates create asymmetry between bilayer leaflets
Q37721674Novel 1, 4-dihydropyridines for L-type calcium channel as antagonists for cadmium toxicity.
Q59298225Phosphatidylserine flip-flop induced by oxidation of the plasma membrane: a better insight by atomic scale modeling
Q47600103Role of Bioinformatics in the Study of Ionic Channels
Q28742602Structural effects and translocation of doxorubicin in a DPPC/Chol bilayer: the role of cholesterol
Q41157019Study of curcumin behavior in two different lipid bilayer models of liposomal curcumin using molecular dynamics simulation.
Q47395154Study of procaine and tetracaine in the lipid bilayer using molecular dynamics simulation.
Q53099814Sulfonamide-Linked Ciprofloxacin, Sulfadiazine and Amantadine Derivatives as a Novel Class of Inhibitors of Jack Bean Urease; Synthesis, Kinetic Mechanism and Molecular Docking.
Q92422456Synergistic Effects of Melittin and Plasma Treatment: A Promising Approach for Cancer Therapy
Q48188132Synthesis, enzyme inhibitory kinetics, and computational studies of novel 1-(2-(4-isobutylphenyl) propanoyl)-3-arylthioureas as Jack bean urease inhibitors
Q91718950Targeting SARS-CoV-2: A Systematic Drug Repurposing Approach to Identify Promising Inhibitors Against 3C-like Proteinase and 2'-O-RiboseMethyltransferase
Q24631757The toxicity of amyloid β oligomers
Q28606421Toward Atomistic Resolution Structure of Phosphatidylcholine Headgroup and Glycerol Backbone at Different Ambient Conditions
Q41978146Undulation contributions to the area compressibility in lipid bilayer simulations
Q29616710Update of the CHARMM all-atom additive force field for lipids: validation on six lipid types

Search more.