Simulating Bead-Tethered Biomolecules: Force-Probe Coupled Steered Molecular Dynamics (fp-SMD) in Optical Tweezers Force Spectroscopy
Interpreting single-molecule force spectroscopy (SMFS) data from optical tweezers with steered molecular dynamics (SMD) is hindered by a severe timescale mismatch: SMD trajectories span nanoseconds to microseconds, while SMFS experiments unfold over milliseconds to seconds, forcing SMD to pull six to nine orders of magnitude faster than experiment and systematically distorting rupture forces,…
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