Not only enthalpy: large entropy contribution to ion permeation barriers in single-file channels

scientific article published on 30 May 2008

Not only enthalpy: large entropy contribution to ion permeation barriers in single-file channels is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1529/BIOPHYSJ.108.130609
P932PMC publication ID2517043
P698PubMed publication ID18515367
P5875ResearchGate publication ID5336379

P50authorGuillem PortellaQ41047555
Jochen S HubQ41487111
P2093author name stringBert L de Groot
Martin D Vesper
P2860cites workThe Structure of the Potassium Channel: Molecular Basis of K+ Conduction and SelectivityQ22337058
Chemistry of ion coordination and hydration revealed by a K+ channel-Fab complex at 2.0 A resolutionQ22337277
Selectivity in K+ channels is due to topological control of the permeant ion's coordinated stateQ24675280
GROMACS: fast, flexible, and freeQ27860998
Theoretical and computational models of biological ion channelsQ30158013
Ion permeation mechanism of the potassium channelQ30864083
Role of protein flexibility in ion permeation: a case study in gramicidin A.Q31029776
Common structural features in gramicidin and other ion channelsQ33843435
Principles of selective ion transport in channels and pumpsQ33991793
Energetics of ion permeation through membrane channels. Solvation of Na+ by gramicidin A.Q34124861
Electrostatic modeling of ion pores. Energy barriers and electric field profilesQ34255705
Ion transport through membrane-spanning nanopores studied by molecular dynamics simulations and continuum electrostatics calculationsQ34351284
Ion conduction and selectivity in K(+) channelsQ34415730
Ion permeation through a narrow channel: using gramicidin to ascertain all-atom molecular dynamics potential of mean force methodology and biomolecular force fieldsQ34546895
Ion selectivity in potassium channelsQ34547784
Energetics of ion conduction through the gramicidin channelQ35121583
Molecular determinants of channel functionQ35149798
A microscopic view of ion conduction through the K+ channel.Q35170348
Osmotic water transport through carbon nanotube membranesQ35917621
On the importance of atomic fluctuations, protein flexibility, and solvent in ion permeationQ36445767
Recent developments in methodologies for calculating the entropy and free energy of biological systems by computer simulationQ36774840
Entropy-enthalpy compensation: fact or artifact?Q38272686
Free energy via molecular simulation: applications to chemical and biomolecular systemsQ38648060
Statistical mechanical equilibrium theory of selective ion channelsQ40145567
Simulations of ion permeation through a potassium channel: molecular dynamics of KcsA in a phospholipid bilayerQ40157344
Invariance of single-file water mobility in gramicidin-like peptidic pores as function of pore lengthQ41858454
Electrostatic calculations for an ion channel. I. Energy and potential profiles and interactions between ionsQ42013121
Effect of streptavidins with varying biotin binding affinities on the properties of biotinylated gramicidin channelsQ42624620
Ion permeation and chemical kineticsQ43009292
Gramicidin-based channel systems for the detection of protein-ligand interactionQ44798208
Energetics of ion conduction through the K+ channel.Q48620522
Designing nanosensors based on charged derivatives of gramicidin A.Q50957282
Confusing cause and effect: energy-entropy compensation in the preferential solvation of a nonpolar solute in dimethyl sulfoxide/water mixtures.Q51939048
The cavity and pore helices in the KcsA K+ channel: electrostatic stabilization of monovalent cations.Q52210321
Energy of an Ion crossing a Low Dielectric Membrane: Solutions to Four Relevant Electrostatic ProblemsQ57141010
Estimating entropies from molecular dynamics simulationsQ58005574
Not Ions Alone: Barriers to Ion Permeation in Nanopores and ChannelsQ58048781
Gramicidin channelsQ72729544
Molecular dynamics simulation of continuous current flow through a model biological membrane channelQ73717881
Energy-entropy compensation in the transfer of nonpolar solutes from water to cosolvent/water mixturesQ76403065
Calculation of the aqueous solvation energy and entropy, as well as free energy, of simple polar solutesQ80990533
The influence of geometry, surface character, and flexibility on the permeation of ions and water through biological poresQ81309787
Mobility of a one-dimensional confined file of water molecules as a function of file lengthQ83374713
P433issue5
P407language of work or nameEnglishQ1860
P921main subjectenthalpyQ161064
P304page(s)2275-2282
P577publication date2008-05-30
P1433published inBiophysical JournalQ2032955
P1476titleNot only enthalpy: large entropy contribution to ion permeation barriers in single-file channels
P478volume95

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cites work (P2860)
Q41857457Collective diffusion model for ion conduction through microscopic channels
Q57936872Entropy–enthalpy compensation at the single protein level: pH sensing in the bacterial channel OmpF
Q46845156Mechanism of ion permeation through a model channel: roles of energetic and entropic contributions
Q57971526Structural implications of mutations assessed by molecular dynamics: Vpu1–32 from HIV-1
Q41934203Thermodynamic implications of high Q 10 of thermo-TRP channels in living cells

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