Combining experiment and simulation in protein folding: closing the gap for small model systems
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Updated: Jul 7, 2026

Microfluidic Mixers for Studying Protein Folding
Published on: April 10, 2012
R Dustin Schaeffer1, Alan Fersht, Valerie Daggett
1Biomolecular Structure & Design Program, University of Washington, Seattle, WA 98195, USA.
Abstract:
All-atom molecular dynamics (MD) simulations on increasingly powerful computers have been combined with experiments to characterize protein folding in detail over wider time ranges. The folding of small ultrafast folding proteins is being simulated on micros timescales, leading to improved structural predictions and folding rates. To what extent is 'closing the gap' between simulation and experiment for such systems providing insights into general mechanisms of protein folding?
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