Gramicidin A channel as a test ground for molecular dynamics force fields - Wikidata - awgldk - TriplyDB

Gramicidin A channel as a test ground for molecular dynamics force fields

Gramicidin A channel as a test ground for molecular dynamics force fields

http://www.wikidata.org/entity/Q34180752

about

Simulations of a protein crystal with a high resolution X-ray structure: evaluation of force fields and water models.Charge equilibration force fields for molecular dynamics simulations of lipids, bilayers, and integral membrane protein systems.Role of protein flexibility in ion permeation: a case study in gramicidin A.Free-energy profiles for ions in the influenza M2-TMD channel Mechanism and energetics of charybdotoxin unbinding from a potassium channel from molecular dynamics simulations Molecular dynamics simulations of membrane proteins.Normal mode analysis of biomolecular structures: functional mechanisms of membrane proteins.Synthetic chloride-selective carbon nanotubes examined by using molecular and stochastic dynamics.Modeling permeation energetics in the KcsA potassium channel Ionic permeation free energy in gramicidin: a semimicroscopic perspective.Molecular dynamics study of bipolar tetraether lipid membranes.Interfacial tryptophan residues: a role for the cation-pi effect?Comparative study of the energetics of ion permeation in Kv1.2 and KcsA potassium channels.Ion permeation through a narrow channel: using gramicidin to ascertain all-atom molecular dynamics potential of mean force methodology and biomolecular force fields.P-SPLINES USING DERIVATIVE INFORMATION.Energetics of ion conduction through the gramicidin channel Structural, dynamic, and electrostatic properties of fully hydrated DMPC bilayers from molecular dynamics simulations accelerated with graphical processing units (GPUs).Conduction properties of KcsA measured using brownian dynamics with flexible carbonyl groups in the selectivity filter.Molecular dynamics simulation of hydrated DPPC monolayers using charge equilibration force fields Computational Investigation of the Effect of Lipid Membranes on Ion Permeation in Gramicidin A.Study on the Application of the Combination of TMD Simulation and Umbrella Sampling in PMF Calculation for Molecular Conformational Transitions.Density-functional theory study of gramicidin A ion channel geometry and electronic properties Molecular dynamics simulations of a DMPC bilayer using nonadditive interaction models.Charge equilibration force fields for lipid environments: applications to fully hydrated DPPC bilayers and DMPC-embedded gramicidin A.Engineering aspects of biological ion channels--from biosensors to computational models for permeation.Use of Molecular Dynamics for the Refinement of an Electrostatic Model for the In Silico Design of a Polymer Antidote for the Anticoagulant Fondaparinux.The gramicidin channel ion permeation free-energy profile: direct and indirect effects of CHARMM force field improvements Structure and energetics of channel-forming protein-polysaccharide complexes inferred via computational statistical thermodynamics.Energetics of ion permeation, rejection, binding, and block in gramicidin A from free energy simulations.Energetics of double-ion occupancy in the gramicidin A channel.Computational studies of gramicidin permeation: an entry way sulfonate enhances cation occupancy at entry sites.A Polarizable Atomic Multipole-Based Force Field for Molecular Dynamics Simulations of Anionic Lipids.Generalized Langevin models of molecular dynamics simulations with applications to ion channels.Saturation of conductance in single ion channels: the blocking effect of the near reaction field.Enhanced Sampling in Molecular Dynamics Using Metadynamics, Replica-Exchange, and Temperature-Acceleration Theoretical Investigation of the D83V Mutation within the Myocyte-Specific Enhancer Factor-2 Beta and Its Role in Cancer

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P2860

Gramicidin A channel as a test ground for molecular dynamics force fields

http://www.wikidata.org/entity/Q34180752

description

2003 nî lūn-bûn

@nan

2003 թուականի Ապրիլին հրատարակուած գիտական յօդուած

@hyw

2003 թվականի ապրիլին հրատարակված գիտական հոդված

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2003年の論文

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2003年論文

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2003年論文

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2003年論文

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2003年論文

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2003年論文

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2003年论文

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name

Gramicidin A channel as a test ground for molecular dynamics force fields

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Gramicidin A channel as a test ground for molecular dynamics force fields

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Gramicidin A channel as a test ground for molecular dynamics force fields

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Gramicidin A channel as a test ground for molecular dynamics force fields

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Gramicidin A channel as a test ground for molecular dynamics force fields

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Gramicidin A channel as a test ground for molecular dynamics force fields

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prefLabel

Gramicidin A channel as a test ground for molecular dynamics force fields

@ast

Gramicidin A channel as a test ground for molecular dynamics force fields

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Gramicidin A channel as a test ground for molecular dynamics force fields

@nl

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S0006-3495(03)75022-X

P1433

Biophysical Journal

P1476

Gramicidin A channel as a test ground for molecular dynamics force fields

@en

P2093

Serdar Kuyucak

http://www.w3.org/2001/XMLSchema#string

Shin-Ho Chung

http://www.w3.org/2001/XMLSchema#string

P2860

The Structure of the Potassium Channel: Molecular Basis of K+ Conduction and Selectivity

The gramicidin A transmembrane channel: a proposed pi(L,D) helix

Structure of lipid bilayers

Structures of gramicidins A, B, and C incorporated into sodium dodecyl sulfate micelles

All-atom empirical potential for molecular modeling and dynamics studies of proteins

The binding site of sodium in the gramicidin A channel: comparison of molecular dynamics with solid-state NMR data

High-resolution polypeptide structure in a lamellar phase lipid environment from solid state NMR derived orientational constraints.

Continuum electrostatics fails to describe ion permeation in the gramicidin channel.

Cation transport: an example of structural based selectivity.

Noncontact dipole effects on channel permeation. II. Trp conformations and dipole potentials in gramicidin A.

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2159-2168

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scholarly article

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10.1016/S0006-3495(03)75022-X

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4

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84

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Turgut Baştuğ

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2003-04-01T00:00:00Z

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10828800

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12668425

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1302783

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