Adaptive biasing force method for scalar and vector free energy calculations.

By Eric F Darve, D. Rodríguez-Gómez, Andrew Pohorille. Journal of Chemical Physics, 2008

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The Adaptive Biasing Force Method: Everything You Always Wanted To Know but Were Afraid To Ask (2014, background): “42 The same dependence on t should apply to deviations from nonuniform sampling.”
Weighted Ensemble Simulation: Review of Methodology, Applications, and Software (2017, neutral): “These encouraging results indicate that WE strategies may become an attractive alternative to metadynamics (43), adaptive biasing force (14), and replica exchange MD (35, 47) for the enhanced sampling of biomolecular conformations, particularly when the calculation of kinetics observables is also of”
Enhanced Sampling in Molecular Dynamics Using Metadynamics, Replica-Exchange, and Temperature-Acceleration (2013, methodology): “Force Algorithm [6], Temperature-Accelerated MD [7] and Metadynamics [8].”
Insights into Protein–Ligand Interactions: Mechanisms, Models, and Methods (2016, methodology): “, the adaptive biasing force algorithm [200], temperature acceleration [201], umbrella sampling [202], metadynamics [203], and replica exchange [204], may be utilized to improve sampling and speed up the convergence of PMF calculations.”
Enhanced Sampling Methods for Molecular Dynamics Simulations [Article v1.0] (2022, background): “These were completed with vector formulations that allow for estimation of free energy gradients along several collective variables, either using time derivatives [223], or projected forces [61].”