Equilibrium Free Energies from Nonequilibrium Metadynamics
Author:
Publisher
American Physical Society (APS)
Subject
General Physics and Astronomy
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevLett.96.090601/fulltext
Reference27 articles.
1. Ligand Binding: Molecular Mechanics Calculation of the Streptavidin-Biotin Rupture Force
2. Nonequilibrium Equality for Free Energy Differences
3. Molecular dynamics study of unbinding of the avidin-biotin complex
4. Equilibrium Time Correlation Functions from Irreversible Transformations in Trajectory Space
5. Biased Sampling of Nonequilibrium Trajectories: Can Fast Switching Simulations Outperform Conventional Free Energy Calculation Methods?
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