Valence selectivity of the gramicidin channel: a molecular dynamics free energy perturbation study.
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Obstructing toxin pathways by targeted pore blockageSolution structure of a D,L-alternating oligonorleucine as a model of double-stranded antiparallel beta-helixStructural and energetic basis of isopropylmalate dehydrogenase enzyme catalysisThe pore-lining region of shaker voltage-gated potassium channels: comparison of beta-barrel and alpha-helix bundle modelsContinuum electrostatics fails to describe ion permeation in the gramicidin channel.Computer simulation of ion cluster speciation in concentrated aqueous solutions at ambient conditionsSimulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field.Evaluating the strength of salt bridges: a comparison of current biomolecular force fields.Gramicidin channels are internally gated.Ion selectivity in channels and transportersA combined experimental and theoretical study of ion solvation in liquid N-methylacetamide.Predicting Fixation Tendencies of the H3N2 Influenza Virus by Free Energy Calculation.A coarse-grain three-site-per-nucleotide model for DNA with explicit ions.Molecular dynamics simulations of asymmetric NaCl and KCl solutions separated by phosphatidylcholine bilayers: potential drops and structural changes induced by strong Na+-lipid interactions and finite size effects(In)validity of the constant field and constant currents assumptions in theories of ion transport.An alamethicin channel in a lipid bilayer: molecular dynamics simulations.Statistical mechanical equilibrium theory of selective ion channels.Simulations of ion permeation through a potassium channel: molecular dynamics of KcsA in a phospholipid bilayer.Molecular dynamics of the KcsA K(+) channel in a bilayer membrane.A Grand Canonical Monte Carlo-Brownian dynamics algorithm for simulating ion channels.Continuum and atomistic modeling of ion partitioning into a peptide nanotube.Physical origin of selectivity in ionic channels of biological membranes.Non-pore lining amino acid side chains influence anion selectivity of the human CFTR Cl- channel expressed in mammalian cell lines.Determination of alkali and halide monovalent ion parameters for use in explicitly solvated biomolecular simulations.Energetics of ion permeation, rejection, binding, and block in gramicidin A from free energy simulations.Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water.Kirkwood-Buff derived force field for alkali chlorides in simple point charge water.Coarse-grained ions without charges: reproducing the solvation structure of NaCl in water using short-ranged potentials.Molecular electrometer and binding of cations to phospholipid bilayers.Gramicidin A Channel Formation Induces Local Lipid Redistribution I: Experiment and Simulation.Self-consistent analytic solution for the current and the access resistance in open ion channels.Kinetic lattice grand canonical Monte Carlo simulation for ion current calculations in a model ion channel system.Electrostatically embedded many-body method for dipole moments, partial atomic charges, and charge transferInsight into nucleic acid counterion interactions from inside molecular dynamics simulations is “worth its salt”
P2860
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P2860
Valence selectivity of the gramicidin channel: a molecular dynamics free energy perturbation study.
description
1996 nî lūn-bûn
@nan
1996年の論文
@ja
1996年論文
@yue
1996年論文
@zh-hant
1996年論文
@zh-hk
1996年論文
@zh-mo
1996年論文
@zh-tw
1996年论文
@wuu
1996年论文
@zh
1996年论文
@zh-cn
name
Valence selectivity of the gra ...... ree energy perturbation study.
@en
type
label
Valence selectivity of the gra ...... ree energy perturbation study.
@en
prefLabel
Valence selectivity of the gra ...... ree energy perturbation study.
@en
P2860
P1433
P1476
Valence selectivity of the gra ...... ree energy perturbation study.
@en
P2093
P2860
P304
P356
10.1016/S0006-3495(96)79511-5
P407
P577
1996-12-01T00:00:00Z