Equilibrium free-energy differences from nonequilibrium measurements: A master-equation approach
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A steered molecular dynamics study of binding and translocation processes in the GABA transporterMolecular dynamics simulations suggest ligand's binding to nicotinamidase/pyrazinamidaseComputational design of new Peptide inhibitors for amyloid Beta (aβ) aggregation in Alzheimer's disease: application of a novel methodologyMolecular Dynamics Simulations of the Human Glucose Transporter GLUT1Carbinolamine formation and dehydration in a DNA repair enzyme active siteGMCT : A Monte Carlo simulation package for macromolecular receptorsThermodynamic inference based on coarse-grained data or noisy measurements.Bayesian estimates of free energies from nonequilibrium work data in the presence of instrument noise.Path integral analysis of Jarzynski's equality: analytical results.Density-dependent analysis of nonequilibrium paths improves free energy estimatesStructural basis of single molecular heparin-FX06 interaction revealed by SPM measurements and molecular simulations.Model selection approach suggests causal association between 25-hydroxyvitamin D and colorectal cancerDeveloping an energy landscape for the novel function of a (beta/alpha)8 barrel: ammonia conduction through HisF.Looking for some free energy? Call JEFREE (…).Constrained Unfolding of a Helical Peptide: Implicit versus Explicit SolventsThermal stabilization of dihydrofolate reductase using monte carlo unfolding simulations and its functional consequences.The Trigger Factor Chaperone Encapsulates and Stabilizes Partial Folds of Substrate Proteins.Calculating potentials of mean force from steered molecular dynamics simulations.One-Particle Representation of Heat Conduction Described within the Scope of the Second Law.Phase-space overlap measures. II. Design and implementation of staging methods for free-energy calculations.Assembly and Stability of α-Helical Membrane Proteins.Accurate calculation of the absolute free energy of binding for drug molecules.A molecular dynamics approach to ligand-receptor interaction in the aspirin-human serum albumin complex.The Jarzynski identity derived from general Hamiltonian or non-Hamiltonian dynamics reproducing NVT or NPT ensembles.Comparison of free energy methods for molecular systems.Using nonequilibrium measurements to determine macromolecule free-energy differences.Determination of free energy profiles by repository based adaptive umbrella sampling: bridging nonequilibrium and quasiequilibrium simulationsSingle molecule probing of SNARE proteins by atomic force microscopy.Optimal estimators and asymptotic variances for nonequilibrium path-ensemble averages.Cadmium(II) inhibition of human uracil-DNA glycosylase by catalytic water supplantation.Experimental test of Hatano and Sasa's nonequilibrium steady-state equality.Annealed importance sampling with constant cooling rate.Quantum Jarzynski equality of measurement-based work extraction.Tracing the minimum-energy path on the free-energy surface.Determining elasticity from single polymer dynamics.Colloidal heat engines: a review.Strategies to reduce end-product inhibition in family 48 glycoside hydrolases.Evaluation of protein-ligand affinity prediction using steered molecular dynamics simulations.Using stochastic models calibrated from nanosecond nonequilibrium simulations to approximate mesoscale information.Explicit all-atom modeling of realistically sized ligand-capped nanocrystals.
P2860
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P2860
Equilibrium free-energy differences from nonequilibrium measurements: A master-equation approach
description
1997 nî lūn-bûn
@nan
1997 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած
@hyw
1997 թվականի նոյեմբերին հրատարակված գիտական հոդված
@hy
1997年の論文
@ja
1997年論文
@yue
1997年論文
@zh-hant
1997年論文
@zh-hk
1997年論文
@zh-mo
1997年論文
@zh-tw
1997年论文
@wuu
name
Equilibrium free-energy differ ...... ts: A master-equation approach
@ast
Equilibrium free-energy differ ...... ts: A master-equation approach
@en
Equilibrium free-energy differ ...... ts: A master-equation approach
@nl
type
label
Equilibrium free-energy differ ...... ts: A master-equation approach
@ast
Equilibrium free-energy differ ...... ts: A master-equation approach
@en
Equilibrium free-energy differ ...... ts: A master-equation approach
@nl
prefLabel
Equilibrium free-energy differ ...... ts: A master-equation approach
@ast
Equilibrium free-energy differ ...... ts: A master-equation approach
@en
Equilibrium free-energy differ ...... ts: A master-equation approach
@nl
P356
P1433
P1476
Equilibrium free-energy differ ...... ts: A master-equation approach
@en
P2093
C. Jarzynski
P304
P356
10.1103/PHYSREVE.56.5018
P407
P577
1997-11-01T00:00:00Z
P5875
P818
cond-mat/9707325