Nonequilibrium fluctuation-dissipation theorem of Brownian dynamics.
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Ligand-modulated interactions between charged monolayer-protected Au144(SR)60 gold nanoparticles in physiological saline.Insights into scFv:drug binding using the molecular dynamics simulation and free energy calculation.A Permeability Study of O2 and the Trace Amine p-Tyramine through Model Phosphatidylcholine Bilayers.Revealing the binding modes and the unbinding of 14-3-3σ proteins and inhibitors by computational methods.Aspheric Solute Ions Modulate Gold Nanoparticle Interactions in an Aqueous Solution: An Optimal Way To Reversibly Concentrate Functionalized NanoparticlesInsights into the mechanisms of the selectivity filter of Escherichia coli aquaporin Z.Interaction between functionalized gold nanoparticles in physiological saline.Exploring the free-energy landscapes of biological systems with steered molecular dynamics.Comparison of the molecular dynamics and calculated binding free energies for nine FDA-approved HIV-1 PR drugs against subtype B and C-SA HIV PR.Molecular dynamics study of human carbonic anhydrase II in complex with Zn(2+) and acetazolamide on the basis of all-atom force field simulationsHybrid Steered Molecular Dynamics Approach to Computing Absolute Binding Free Energy of Ligand-Protein Complexes: A Brute Force Approach That Is Fast and Accurate.Computing Protein-Protein Association Affinity with Hybrid Steered Molecular DynamicsDetermination of equilibrium free energy from nonequilibrium work measurements.In silico experiments of single-chain antibody fragment against drugs of abuse.Erythritol predicted to inhibit permeation of water and solutes through the conducting pore of P. falciparum aquaporin.In silico study of Aquaporin V: Effects and affinity of the central pore-occluding lipidFree-energy landscape of glycerol permeation through aquaglyceroporin GlpF determined from steered molecular dynamics simulations.Comment regarding "On the Crooks fluctuation theorem and the Jarzynski equality" [J. Chem. Phys. 129, 091101 (2008)] and "Nonequilibrium fluctuation-dissipation theorem of Brownian dynamics" [J. Chem. Phys. 129, 144113 (2008)].Dissipation, lag, and drift in driven fluctuating systems.Linear response and modified fluctuation-dissipation relation in random potential.Non-Markovian work fluctuation theorem in crossed electric and magnetic fields.Characterizing the Free-Energy Landscape of MDM2 Protein-Ligand Interactions by Steered Molecular Dynamics Simulations.Power fluctuation theorem for a Brownian harmonic oscillator.Calculating diffusion and permeability coefficients with the oscillating forward-reverse method.
P2860
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P2860
Nonequilibrium fluctuation-dissipation theorem of Brownian dynamics.
description
2008 nî lūn-bûn
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2008年の論文
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2008年学术文章
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2008年学术文章
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name
Nonequilibrium fluctuation-dissipation theorem of Brownian dynamics.
@en
Nonequilibrium fluctuation-dissipation theorem of Brownian dynamics.
@nl
type
label
Nonequilibrium fluctuation-dissipation theorem of Brownian dynamics.
@en
Nonequilibrium fluctuation-dissipation theorem of Brownian dynamics.
@nl
prefLabel
Nonequilibrium fluctuation-dissipation theorem of Brownian dynamics.
@en
Nonequilibrium fluctuation-dissipation theorem of Brownian dynamics.
@nl
P2860
P356
P1476
Nonequilibrium fluctuation-dissipation theorem of Brownian dynamics.
@en
P2860
P304
P356
10.1063/1.2992153
P407
P50
P577
2008-10-01T00:00:00Z