A polarizable force field of dipalmitoylphosphatidylcholine based on the classical Drude model for molecular dynamics simulations of lipids.
about
Molecular dynamics simulations of biological membranes and membrane proteins using enhanced conformational sampling algorithmsRecent Advances in Polarizable Force Fields for Macromolecules: Microsecond Simulations of Proteins Using the Classical Drude Oscillator ModelToward Atomistic Resolution Structure of Phosphatidylcholine Headgroup and Glycerol Backbone at Different Ambient ConditionsAn Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent ApplicationsForce Field for Peptides and Proteins based on the Classical Drude OscillatorMetal Ion Modeling Using Classical MechanicsCHARMM additive and polarizable force fields for biophysics and computer-aided drug designCHARMM Drude Polarizable Force Field for Aldopentofuranoses and Methyl-aldopentofuranosides.Polarizable empirical force field for hexopyranose monosaccharides based on the classical Drude oscillator.Current status of protein force fields for molecular dynamics simulations.Mechanical properties of lipid bilayers from molecular dynamics simulation.Induced Dipole-Dipole Interactions Influence the Unfolding Pathways of Wild-Type and Mutant Amyloid β-Peptides.Structural and functional characterization of a calcium-activated cation channel from Tsukamurella paurometabola.Simulation-Based Approaches for Determining Membrane Permeability of Small CompoundsDrude Polarizable Force Field for Molecular Dynamics Simulations of Saturated and Unsaturated Zwitterionic LipidsDrude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates.Balancing the interactions of ions, water, and DNA in the Drude polarizable force field.Competition among Li(+), Na(+), K(+), and Rb(+) monovalent ions for DNA in molecular dynamics simulations using the additive CHARMM36 and Drude polarizable force fields.All-atom polarizable force field for DNA based on the classical Drude oscillator modelThe cellular membrane as a mediator for small molecule interaction with membrane proteins.Implementation of extended Lagrangian dynamics in GROMACS for polarizable simulations using the classical Drude oscillator model.Balancing the Interactions of Mg2+ in Aqueous Solution and with Nucleic Acid Moieties For a Polarizable Force Field Based on the Classical Drude Oscillator Model.Iodide Binding in Sodium-Coupled Cotransporters.A Polarizable Atomic Multipole-Based Force Field for Molecular Dynamics Simulations of Anionic Lipids.Mapping the Drude polarizable force field onto a multipole and induced dipole model.Polarizable Empirical Force Field for Halogen-Containing Compounds Based on the Classical Drude Oscillator.Polarizable Force Field for DNA Based on the Classical Drude Oscillator: I. Refinement Using Quantum Mechanical Base Stacking and Conformational Energetics.Polarizable Force Field for DNA Based on the Classical Drude Oscillator: II. Microsecond Molecular Dynamics Simulations of Duplex DNA.An averaged polarizable potential for multiscale modeling in phospholipid membranes.Multiscale Kinetic Modeling Reveals an Ensemble of Cl-/H+ Exchange Pathways in ClC-ec1 Antiporter.Proper balance of solvent-solute and solute-solute interactions in the treatment of the diffusion of glucose using the Drude polarizable force field.CHARMM Drude Polarizable Force Field for Glycosidic Linkages Involving Pyranoses and Furanoses.Assigning crystallographic electron densities with free energy calculations-The case of the fluoride channel Fluc.Molecular dynamics simulations using the drude polarizable force field on GPUs with OpenMM: Implementation, validation, and benchmarksPolarizable Force Field for Molecular Ions Based on the Classical Drude Oscillator
P2860
Q26772040-7DEF3B69-57F1-410F-A7A9-3D9C0E85AAD1Q27024746-A4B76F94-3D34-45AC-889D-F622A07943ECQ28606421-F6B3E742-85FF-45B5-AFEF-35853DEE264DQ28834286-307DC46A-F464-4A0C-9A28-7146CF5EA93BQ30358273-D3F7CA36-785F-491F-B7D8-8181BB17BA3CQ30363020-57D457A0-8E41-494C-962A-FE02511F1836Q30365988-644354F0-289E-4C6A-8FB8-DD6CF79A9EBFQ30960274-4629471A-3DC0-45A1-AFDA-036A77D53653Q34084670-8DF4A515-882C-4A2C-867A-30341C460229Q36010677-129676AF-6FAF-4BB2-B28C-0E544A545BEFQ36385077-CFA7700C-8023-40B1-A2EA-C0550D838494Q36403825-E2AEB8A9-6640-41CB-A469-BC555CC992D8Q37315224-1873EC84-CA76-4FBF-80FD-37DD2C18916BQ37614213-CF7F2C5C-B765-448B-A762-DF2CF6B2593AQ38668094-7A43D831-C991-41F3-A2C3-64217013A416Q38965242-5EDA029C-CE71-4CD7-AF69-2DA55AE9E2ABQ40926906-E3227717-9C22-46F5-ACED-42CFEC8D39BFQ41267990-D84A5A2D-CDDD-454F-91C5-9295B847B162Q41512422-D9C06147-4F52-4841-8E67-013B35D7D28FQ41633843-8F2F6B73-7696-48B9-83B9-E698CF659525Q42404600-34EE2946-5A4A-4D62-A769-CBCD96DCBA68Q46346064-7E2DD173-5C98-4527-B705-A87F1F56CAB8Q47141948-7905D58F-7EBB-4EC4-A869-7F9AA288E24CQ47209359-BEE917E0-28B8-403C-ADE6-A4E2EE768469Q47309784-0BB9C17F-CAC0-4AFC-A75A-D2DE5EDBA766Q47706435-BBEB8AF4-A259-4164-9737-6D6F612B0C9BQ48041687-92BF4FAA-ED3D-4A72-98A8-C690E416C39AQ48041716-673DECD3-3850-45ED-84F5-776F3D1B63DBQ48048201-59627DC4-653B-4959-B7A4-8341B683B8DBQ48247728-39D1AD21-A676-4AC3-B3F7-BB3F1E50FC17Q50109057-C2405D6F-A383-4BA2-B6F3-3DB48D115115Q52563990-66A6DCF9-C4BB-46D9-BFA7-14B03543C8D9Q55092949-450B2BC1-3981-4587-ABEA-A722E2A658A9Q57551740-C53E47B0-FF0E-420E-9290-0D6E584C192FQ58845466-4638310F-0D07-42A9-AE88-30F1817AC4A9
P2860
A polarizable force field of dipalmitoylphosphatidylcholine based on the classical Drude model for molecular dynamics simulations of lipids.
description
2013 nî lūn-bûn
@nan
2013 թուականի Յուլիսին հրատարակուած գիտական յօդուած
@hyw
2013 թվականի հուլիսին հրատարակված գիտական հոդված
@hy
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
name
A polarizable force field of d ...... ynamics simulations of lipids.
@ast
A polarizable force field of d ...... ynamics simulations of lipids.
@en
type
label
A polarizable force field of d ...... ynamics simulations of lipids.
@ast
A polarizable force field of d ...... ynamics simulations of lipids.
@en
prefLabel
A polarizable force field of d ...... ynamics simulations of lipids.
@ast
A polarizable force field of d ...... ynamics simulations of lipids.
@en
P2093
P2860
P356
P1476
A polarizable force field of d ...... ynamics simulations of lipids.
@en
P2093
Alexander D MacKerell
Benoît Roux
Edward Harder
Janamejaya Chowdhary
Pedro E M Lopes
P2860
P304
P356
10.1021/JP402860E
P407
P577
2013-07-30T00:00:00Z