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{"documenter":{"julia_version":"1.10.8","generation_timestamp":"2025-02-07T13:09:37","documenter_version":"1.7.0"}}
{"documenter":{"julia_version":"1.10.8","generation_timestamp":"2025-02-07T13:24:27","documenter_version":"1.7.0"}}
2 changes: 1 addition & 1 deletion dev/index.html
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<!DOCTYPE html>
<html lang="en"><head><meta charset="UTF-8"/><meta name="viewport" content="width=device-width, initial-scale=1.0"/><title>Home · PereiraMartinez2024.jl</title><meta name="title" content="Home · PereiraMartinez2024.jl"/><meta property="og:title" content="Home · PereiraMartinez2024.jl"/><meta property="twitter:title" content="Home · PereiraMartinez2024.jl"/><meta name="description" content="Documentation for PereiraMartinez2024.jl."/><meta property="og:description" content="Documentation for PereiraMartinez2024.jl."/><meta property="twitter:description" content="Documentation for PereiraMartinez2024.jl."/><script data-outdated-warner src="assets/warner.js"></script><link href="https://cdnjs.cloudflare.com/ajax/libs/lato-font/3.0.0/css/lato-font.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/juliamono/0.050/juliamono.min.css" rel="stylesheet" type="text/css"/><link 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F. Pereira, L. Martínez</p><p>Institute of Chemistry and Center for Computing in Engineering &amp; Science, Universidade Estadual de Campinas (UNICAMP), 13083-861 Campinas, SP, Brazil</p><h2 id="Contents"><a class="docs-heading-anchor" href="#Contents">Contents</a><a id="Contents-1"></a><a class="docs-heading-anchor-permalink" href="#Contents" title="Permalink"></a></h2><p>Data and codes necessary detailed reproduction of the computation of transfer free energies.</p></article><nav class="docs-footer"><a class="docs-footer-nextpage" href="proteinA_urea/">BdpA in urea »</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="auto">Automatic (OS)</option><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option><option value="catppuccin-latte">catppuccin-latte</option><option value="catppuccin-frappe">catppuccin-frappe</option><option value="catppuccin-macchiato">catppuccin-macchiato</option><option value="catppuccin-mocha">catppuccin-mocha</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 1.7.0 on <span class="colophon-date" title="Friday 7 February 2025 13:09">Friday 7 February 2025</span>. 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class="docs-article-toggle-button fa-solid fa-chevron-up" id="documenter-article-toggle-button" href="javascript:;" title="Collapse all docstrings"></a></div></header><article class="content" id="documenter-page"><h1 id="Supplementary-Information"><a class="docs-heading-anchor" href="#Supplementary-Information">Supplementary Information</a><a id="Supplementary-Information-1"></a><a class="docs-heading-anchor-permalink" href="#Supplementary-Information" title="Permalink"></a></h1><p><strong>Osmolyte-Induced Structural and Thermodynamic Effects on the Protein Folding Landscape</strong></p><p>A. F. Pereira, L. Martínez</p><p>Institute of Chemistry and Center for Computing in Engineering &amp; Science, Universidade Estadual de Campinas (UNICAMP), 13083-861 Campinas, SP, Brazil</p><h2 id="Contents"><a class="docs-heading-anchor" href="#Contents">Contents</a><a id="Contents-1"></a><a class="docs-heading-anchor-permalink" href="#Contents" title="Permalink"></a></h2><p>Data and codes necessary detailed reproduction of the computation of transfer free energies.</p></article><nav class="docs-footer"><a class="docs-footer-nextpage" href="proteinA_urea/">BdpA in urea »</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="auto">Automatic (OS)</option><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option><option value="catppuccin-latte">catppuccin-latte</option><option value="catppuccin-frappe">catppuccin-frappe</option><option value="catppuccin-macchiato">catppuccin-macchiato</option><option value="catppuccin-mocha">catppuccin-mocha</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> version 1.7.0 on <span class="colophon-date" title="Friday 7 February 2025 13:24">Friday 7 February 2025</span>. 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4 changes: 2 additions & 2 deletions dev/pluto_notebooks/proteinA_tmao.html
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18 changes: 3 additions & 15 deletions dev/pluto_notebooks/proteinA_tmao.jl
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### A Pluto.jl notebook ###
# v0.19.47
# v0.20.4

using Markdown
using InteractiveUtils
Expand Down Expand Up @@ -133,15 +133,6 @@ The shaded areas are, qualitatively, the transfer free energy of each state up t
Integrating these curves provides a qualitative measure of the free energy of transfer in each case:
"""

# ╔═╡ d904f54e-e284-46bb-b7a6-9fae79e01300
#Δμ₂_N = trapz(simulated_m₃[!,"N"],∂μ₂∂m₃_sim[!,"N"])

# ╔═╡ 5edbb407-3655-45f6-aa9b-8fae111b2eee
#Δμ₂_U1 = trapz(simulated_m₃[!,"U1"],∂μ₂∂m₃_sim[!,"U1"])

# ╔═╡ 62629866-b03e-4a61-b3fa-b6a12e3aa7c8
#Δμ₂_U2 = trapz(simulated_m₃[!,"U2"],∂μ₂∂m₃_sim[!,"U2"])

# ╔═╡ 4f68effa-b334-4c85-b462-d5c6554e7ea3
md"""
The results imply that the U2 denatured state is slightly less favorably transferred to a 0.5 mol/L aqueous TMAO solution than the native state. The difference increases with increasing TMAO concentration. At higher TMAO concentrations the integrals associated with this state become progressively more positive, thus the U2 denatured state is destabilized relative to the native state upon transfer to a TMAO solution.
Expand Down Expand Up @@ -400,7 +391,7 @@ Unitful = "~1.21.0"
PLUTO_MANIFEST_TOML_CONTENTS = """
# This file is machine-generated - editing it directly is not advised
julia_version = "1.10.4"
julia_version = "1.10.8"
manifest_format = "2.0"
project_hash = "186e9edfd1ae945ccf31bd7e66457c37def820e8"
Expand Down Expand Up @@ -1916,7 +1907,7 @@ version = "0.15.2+0"
[[deps.libblastrampoline_jll]]
deps = ["Artifacts", "Libdl"]
uuid = "8e850b90-86db-534c-a0d3-1478176c7d93"
version = "5.8.0+1"
version = "5.11.0+0"
[[deps.libdecor_jll]]
deps = ["Artifacts", "Dbus_jll", "JLLWrappers", "Libdl", "Libglvnd_jll", "Pango_jll", "Wayland_jll", "xkbcommon_jll"]
Expand Down Expand Up @@ -2016,9 +2007,6 @@ version = "1.4.1+1"
# ╟─da89afa4-43bc-4906-b01b-9f6ec455f229
# ╟─025fed74-93a2-4bb9-96b6-9e4c1a00c75d
# ╟─681ecbaa-1370-468a-b3d8-7f01b373b3f6
# ╠═d904f54e-e284-46bb-b7a6-9fae79e01300
# ╠═5edbb407-3655-45f6-aa9b-8fae111b2eee
# ╠═62629866-b03e-4a61-b3fa-b6a12e3aa7c8
# ╟─11c9f23d-ba98-407f-ba07-40ff3b5ce477
# ╟─4f68effa-b334-4c85-b462-d5c6554e7ea3
# ╟─3b976cdf-09d2-4c43-881c-c1eadb4ea238
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