FK-eABF replaces histogram accumulation in eABF with Gaussian force kernels and Nadaraya-Watson regression to achieve faster free-energy landscape coverage while retaining quantitative accuracy across simulation timescales.
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2 Pith papers cite this work. Polarity classification is still indexing.
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Pith papers citing it
fields
physics.chem-ph 2years
2026 2verdicts
UNVERDICTED 2representative citing papers
A committor-guided Milestoning (CoM) algorithm using neural-network ansatz and short trajectories for efficient prediction of mean first passage times in biomolecular systems.
citing papers explorer
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A Force-Kernel Reformulation of the Extended-System Adaptive Biasing Force for Free-Energy Calculations
FK-eABF replaces histogram accumulation in eABF with Gaussian force kernels and Nadaraya-Watson regression to achieve faster free-energy landscape coverage while retaining quantitative accuracy across simulation timescales.
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Fast and accurate committor estimation for kinetics simulations
A committor-guided Milestoning (CoM) algorithm using neural-network ansatz and short trajectories for efficient prediction of mean first passage times in biomolecular systems.