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Code - Transition-path times of molecular shuttles under mechanical equilibrium show symmetry

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dc.contributor.author	Nicolás-García, Tomás
dc.contributor.author	Martín Sabanés, Natalia
dc.contributor.author	Bocanegra, Rebeca
dc.contributor.author	Astumian, R. Dean
dc.contributor.author	Ibarra, Borja
dc.contributor.author	Pérez, Emilio M.
dc.date.accessioned	2024-10-29T09:26:39Z
dc.date.available	2024-10-29T09:26:39Z
dc.date.issued	2024
dc.description.other	We present 3 analysis codes used for data analysis in the article "Transition-path times of molecular shuttles under mechanical equilibrium show symmetry", DOI: 10.26434/chemrxiv-2024-w3twb - Baseline_correction.m This code substracts a polynomial baseline from extension vs time traces acquired at a constant force by optical tweezers. It returns a .dat file containing the corrected trace (without baseline and centered) that can be used to perform LTFT analysis and extract DeltaG following Bier-Astumian formalism. - LTFT_analysis.m This code finds the distribution of transit times between two user-defined boundaries (a and b), and includes an statistical analysis that evaluates the differences between symmetric paths a-->b and b-->a, and asseses the significance of the differences. - deltaG_BierAstumian.m This code calculates transition probabilities P[a→b,Δt], P[b→a,Δt], their ratio and resulting ΔG (Bier-Astumian relation) for user-defined values of a and b. A test data file (test_trace.dat) is included to test the codes.
dc.format.mimetype	application/zip
dc.identifier.uri	https://hdl.handle.net/20.500.12614/3812
dc.language.iso	en
dc.relation.isreferencedby	10.26434/chemrxiv-2024-w3twb
dc.rights	Attribution 4.0 International	en
dc.rights.accessRights	open access
dc.rights.uri	http://creativecommons.org/licenses/by/4.0/
dc.title	Code - Transition-path times of molecular shuttles under mechanical equilibrium show symmetry
dc.type	dataset
dspace.entity.type	Publication
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