(Q56893792)

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On the use of local diffusion models for path ensemble averaging in potential of mean force computations

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On the use of local diffusion models for path ensemble averaging in potential of mean force computations (English)

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author name string

Christopher P Calderon

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1

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English

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publication date

28 February 2007

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published in

Journal of Chemical Physics

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volume

126

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issue

8

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page(s)

084106

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cites work

Calculating potentials of mean force from steered molecular dynamics simulations

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Free energy reconstruction from nonequilibrium single-molecule pulling experiments

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Free energy calculation from steered molecular dynamics simulations using Jarzynski’s equality

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Calculating potentials of mean force and diffusion coefficients from nonequilibrium processes without Jarzynski's equality.

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21 January 2018

Equilibrium free-energy differences from nonequilibrium measurements: A master-equation approach

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Crooks equation for steered molecular dynamics using a Nosé-Hoover thermostat.

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Energetics of glycerol conduction through aquaglyceroporin GlpF.

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Fluctuation-driven molecular transport through an asymmetric membrane channel.

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Coarse nonlinear dynamics and metastability of filling-emptying transitions: water in carbon nanotubes.

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Scalable molecular dynamics with NAMD

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Comment on "Force-Clamp Spectroscopy Monitors the Folding Trajectory of a Single Protein"

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Coarse molecular dynamics of a peptide fragment: Free energy, kinetics, and long-time dynamics computations

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(Q56893792)

On the use of local diffusion models for path ensemble averaging in potential of mean force computations

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