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   Articles with "molecular kinetics" as a keyword



Disentangling Timescales of Molecular Kinetics with spFRET using ALEX-FCS

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recommendations! Published in 2025 at "Journal of Fluorescence"

DOI: 10.1007/s10895-025-04187-0

Abstract: Single-pair Förster resonance energy transfer (spFRET) probes the dynamics of molecular structures with (sub-)nanometer accuracy. When combined with fluorescence correlation spectroscopy (FCS), diffusion times and conformation lifetimes can be obtained. Alternating excitation (ALEX) further complements… read more here.

Keywords: disentangling timescales; molecular kinetics; kinetics spfret; timescales molecular ... See more keywords
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Rapid Calculation of Molecular Kinetics Using Compressed Sensing.

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recommendations! Published in 2018 at "Journal of chemical theory and computation"

DOI: 10.1021/acs.jctc.8b00089

Abstract: Recent methods for the analysis of molecular kinetics from massive molecular dynamics (MD) data rely on the solution of very large eigenvalue problems. Here we build upon recent results from the field of compressed sensing… read more here.

Keywords: calculation molecular; compressed sensing; using compressed; molecular kinetics ... See more keywords

VAMPnets for deep learning of molecular kinetics

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recommendations! Published in 2017 at "Nature Communications"

DOI: 10.1038/s41467-017-02388-1

Abstract: There is an increasing demand for computing the relevant structures, equilibria, and long-timescale kinetics of biomolecular processes, such as protein-drug binding, from high-throughput molecular dynamics simulations. Current methods employ transformation of simulated coordinates into structural… read more here.

Keywords: state; markov; learning molecular; molecular kinetics ... See more keywords

A novel understanding of the role of plasma-molecular kinetics on divertor power exhaust

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recommendations! Published in 2024 at "Nuclear Fusion"

DOI: 10.1088/1741-4326/ae09b9

Abstract: During detachment, a buffer of neutral atoms and molecules builds up between the target and the ionising plasma. Collisions between the plasma and the molecules play an important role in the detachment process. Studies of… read more here.

Keywords: power; role; molecular kinetics; plasma ... See more keywords