Bias and error in estimates of equilibrium free-energy differences from nonequilibrium measurements.
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Verification of the Crooks fluctuation theorem and recovery of RNA folding free energiesCarbinolamine formation and dehydration in a DNA repair enzyme active siteCiliates learn to diagnose and correct classical error syndromes in mating strategiesProbing carbohydrate product expulsion from a processive cellulase with multiple absolute binding free energy methods.Measurement of the effect of monovalent cations on RNA hairpin stability.Hydrophobic effect drives oxygen uptake in myoglobin via histidine E7Bayesian estimates of free energies from nonequilibrium work data in the presence of instrument noise.Density-dependent analysis of nonequilibrium paths improves free energy estimatesFolding and unfolding single RNA molecules under tension.Molecular basis of ligand dissociation in β-adrenergic receptorsFree-energy inference from partial work measurements in small systems.Structural elements in IGP synthase exclude water to optimize ammonia transfer.Force unfolding single RNAs.Disaccharide binding to galectin-1: free energy calculations and molecular recognition mechanism.On the improvement of free-energy calculation from steered molecular dynamics simulations using adaptive stochastic perturbation protocols.Calculating potentials of mean force from steered molecular dynamics simulations.Protein misfolding occurs by slow diffusion across multiple barriers in a rough energy landscape.Reconstructing folding energy landscapes by single-molecule force spectroscopy.As Simple As Possible, but Not Simpler: Exploring the Fidelity of Coarse-Grained Protein Models for Simulated Force Spectroscopy.Comparison of free energy methods for molecular systems.Using nonequilibrium measurements to determine macromolecule free-energy differences.Scaling Law for Irreversible Entropy Production in Critical Systems.Pharmacological chaperone reshapes the energy landscape for folding and aggregation of the prion proteinUnconstrained Enhanced Sampling for Free Energy Calculations of Biomolecules: A ReviewOptimal estimators and asymptotic variances for nonequilibrium path-ensemble averages.Experimental test of Hatano and Sasa's nonequilibrium steady-state equality.Annealed importance sampling with constant cooling rate.Using stochastic models calibrated from nanosecond nonequilibrium simulations to approximate mesoscale information.Convergence of large-deviation estimators.Prior-predictive value from fast-growth simulations: error analysis and bias estimation.Tertiary and quaternary structural basis of oxygen affinity in human hemoglobin as revealed by multiscale simulations.Efficiency in nonequilibrium molecular dynamics Monte Carlo simulations.Human lactate dehydrogenase a inhibitors: a molecular dynamics investigation.Absolute FKBP binding affinities obtained via nonequilibrium unbinding simulationsPulling-spring modulation as a method for improving the potential-of-mean-force reconstruction in single-molecule manipulation experiments.Thermodynamic geometry of minimum-dissipation driven barrier crossing.Number of trials required to estimate a free-energy difference, using fluctuation relations.RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview.Sawtooth patterns in force-extension curves of biomolecules: an equilibrium-statistical-mechanics theory.Soft matter interactions at the molecular scale: interaction forces and energies between single hydrophobic model peptides.
P2860
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P2860
Bias and error in estimates of equilibrium free-energy differences from nonequilibrium measurements.
description
2003 nî lūn-bûn
@nan
2003年の論文
@ja
2003年論文
@yue
2003年論文
@zh-hant
2003年論文
@zh-hk
2003年論文
@zh-mo
2003年論文
@zh-tw
2003年论文
@wuu
2003年论文
@zh
2003年论文
@zh-cn
name
Bias and error in estimates of ...... m nonequilibrium measurements.
@ast
Bias and error in estimates of ...... m nonequilibrium measurements.
@en
type
label
Bias and error in estimates of ...... m nonequilibrium measurements.
@ast
Bias and error in estimates of ...... m nonequilibrium measurements.
@en
prefLabel
Bias and error in estimates of ...... m nonequilibrium measurements.
@ast
Bias and error in estimates of ...... m nonequilibrium measurements.
@en
P2860
P356
P1476
Bias and error in estimates of ...... m nonequilibrium measurements.
@en
P2093
Felix Ritort
P2860
P304
12564-12569
P356
10.1073/PNAS.1635159100
P407
P577
2003-10-03T00:00:00Z