Modeling kinetics and equilibrium of membranes with fields: milestoning analysis and implication to permeation. - Test2 - elhamkhani - TriplyDB

Modeling kinetics and equilibrium of membranes with fields: milestoning analysis and implication to permeation.

Modeling kinetics and equilibrium of membranes with fields: milestoning analysis and implication to permeation.

http://www.wikidata.org/entity/Q33990514

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Subdiffusion in Membrane Permeation of Small Molecules.A Stochastic Algorithm for the Isobaric-Isothermal Ensemble with Ewald Summations for All Long Range Forces.Simulating Current-Voltage Relationships for a Narrow Ion Channel Using the Weighted Ensemble Method.Simulations of thermodynamics and kinetics on rough energy landscapes with milestoning.Perspective: Computer simulations of long time dynamics Two Relations to Estimate Membrane Permeability Using Milestoning Simulation-Based Approaches for Determining Membrane Permeability of Small Compounds Markovian and Non-Markovian Modeling of Membrane Dynamics with Milestoning.Exact milestoning.Combining molecular dynamics and an electrodiffusion model to calculate ion channel conductance.A new paradigm for atomically detailed simulations of kinetics in biophysical systems.Permeation of the three aromatic dipeptides through lipid bilayers: Experimental and computational study.

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P2860

Modeling kinetics and equilibrium of membranes with fields: milestoning analysis and implication to permeation.

http://www.wikidata.org/entity/Q33990514

description

2014 nî lūn-bûn

@nan

2014 թուականի Օգոստոսին հրատարակուած գիտական յօդուած

@hyw

2014 թվականի օգոստոսին հրատարակված գիտական հոդված

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2014年の論文

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2014年論文

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2014年論文

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2014年論文

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2014年論文

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2014年論文

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2014年论文

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Modeling kinetics and equilibr ...... and implication to permeation.

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Alfredo E Cardenas

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Ron Elber

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P2860

Comparison of simple potential functions for simulating liquid water

Getting in shape: controlling peptide bioactivity and bioavailability using conformational constraints

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

The MARTINI force field: coarse grained model for biomolecular simulations

Position-resolved free energy of solvation for amino acids in lipid membranes from molecular dynamics simulations.

Transbilayer and interbilayer phospholipid exchange in dimyristoylphosphatidylcholine/dimyristoylphosphatidylethanolamine large unilamellar vesicles.

Molecular dynamics simulations suggest a mechanism for translocation of the HIV-1 TAT peptide across lipid membranes.

Unassisted transport of N-acetyl-L-tryptophanamide through membrane: experiment and simulation of kinetics.

Simulation-based methods for interpreting x-ray data from lipid bilayers.

Reactive flux and folding pathways in network models of coarse-grained protein dynamics.

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scholarly article

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10.1063/1.4891305

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2014-08-01T00:00:00Z

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264643889

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25106564

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