From 00926c87d312e5da1166ff219cb52f41e603d411 Mon Sep 17 00:00:00 2001 From: "W. Trevor King" Date: Sat, 18 May 2013 10:12:16 -0400 Subject: [PATCH] sawsim/discussion.tex: Standardize variables in constant loading section Although there's too much overlap with the existing scaffold section. The two should be combined. --- src/sawsim/discussion.tex | 57 +++++++++++++++++++++++---------------- 1 file changed, 34 insertions(+), 23 deletions(-) diff --git a/src/sawsim/discussion.tex b/src/sawsim/discussion.tex index 7471bae..c0a3e37 100644 --- a/src/sawsim/discussion.tex +++ b/src/sawsim/discussion.tex @@ -648,42 +648,53 @@ validate their results. \section{Single-domain proteins under constant loading} -eq:sawsim:order-dep +TODO: consolidate with \cref{sec:sawsim:results:scaffold}. -Let $x$ be the end to end distance of the protein, $t$ be the time since loading began, $F$ be tension applied to the protein, $P$ be the surviving population of folded proteins. -Make the definitions +Let $x$ be the end to end distance of the protein, $t$ be the time +since loading began, $F$ be tension applied to the protein, $N_f$ be +the surviving population of folded proteins. Make the definitions \begin{align} v &\equiv \deriv{t}{x} && \text{the pulling velocity} \\ - k &\equiv \deriv{x}{F} && \text{the loading spring constant} \\ - P_0 &\equiv P(t=0) && \text{the initial number of folded proteins} \\ - D &\equiv P_0 - P && \text{the number of dead (unfolded) proteins} \\ - \kappa &\equiv -\frac{1}{P} \deriv{t}{P} && \text{the unfolding rate} + \kappa &\equiv \deriv{x}{F} && \text{the loading spring constant} \\ + N_{f0} &\equiv N_f(t=0) && \text{the initial number of folded proteins} \\ + N_u &\equiv N_{f0} - N_f && \text{the number of unfolded proteins} \\ + k_u &\equiv -\frac{1}{N_f} \deriv{t}{N_f} && \text{the unfolding rate} \end{align} \nomenclature{$\equiv$}{Defined as (\ie\ equivalent to)} The proteins are under constant loading because \begin{equation} - \deriv{t}{F} = \deriv{x}{F}\deriv{t}{x} = kv\;, + \deriv{t}{F} = \deriv{x}{F}\deriv{t}{x} = \kappa v\;, \end{equation} -a constant, since both $k$ and $v$ are constant (\citet{evans97} in the text on the first page, \citet{dudko06} in the text just before Eqn.~4). - -The instantaneous likelyhood of a protein unfolding is given by $\deriv{F}{D}$, and the unfolding histogram is merely this function discretized over a bin of width $W$(This is similar to \citet{dudko06} Eqn.~2, remembering that $\dot{F}=kv$, that their probability density is not a histogram ($W=1$), and that their pdf is normalized to $N=1$). +a constant, since both $\kappa$ and $v$ are constant (\citet{evans97} +in the text on the first page, \citet{dudko06} in the text just before +\fref{equation}{4}). + +The instantaneous likelyhood of a protein unfolding is given by +$\deriv{F}{N_u}$, and the unfolding histogram is merely this function +discretized over a bin of width $W$ (This is similar to +\xref{dudko06}{equation}{2}, remembering that $\dot{F}=\kappa v$, that +their probability density is not a histogram ($W=1$), and that their +probability density function is normalized to $N=1$). \begin{equation} h(F) \equiv \deriv{\text{bin}}{F} - = \deriv{F}{D} \cdot \deriv{\text{bin}}{F} - = W \deriv{F}{D} - = -W \deriv{F}{P} - = -W \deriv{t}{P} \deriv{F}{t} - = \frac{W}{vk} P\kappa \label{eq:unfold:hist} + = \deriv{F}{N_u} \cdot \deriv{\text{bin}}{F} + = W \deriv{F}{N_u} + = -W \deriv{F}{N_f} + = -W \deriv{t}{N_f} \deriv{F}{t} + = \frac{W}{vk} N_f\kappa \label{eq:unfold:hist} \end{equation} -Solving for theoretical histograms is merely a question of taking your chosen $\kappa$, solving for $P(f)$, and plugging into Eqn. \ref{eq:unfold:hist}. -We can also make a bit of progress solving for $P$ in terms of $\kappa$ as follows: +Solving for theoretical histograms is merely a question of taking your +chosen $k_u$, solving for $N_f(f)$, and plugging into +\cref{eq:unfold:hist}. We can also make a bit of progress solving for +$N_f$ in terms of $k_u$ as follows: \begin{align} - \kappa &\equiv -\frac{1}{P} \deriv{t}{P} \\ - -\kappa \dd t \cdot \deriv{t}{F} &= \frac{\dd P}{P} \\ - \frac{-1}{kv} \int \kappa \dd F &= \ln(P) + c \\ - P &= C\exp{\p({\frac{-1}{kv}\integral{}{}{F}{\kappa}})} \;, \label{eq:P} + k_u &\equiv -\frac{1}{N_f} \deriv{t}{N_f} \\ + -k_u \dd t \cdot \deriv{t}{F} &= \frac{\dd N_f}{N_f} \\ + \frac{-1}{\kappa v} \int k_0 \dd F &= \ln(N_f) + c \\ + N_f &= C\exp{\p({\frac{-1}{\kappa v}\integral{}{}{F}{k_u}})} \;, + \label{eq:N_f} \end{align} -where $c \equiv \ln(C)$ is a constant of integration scaling $P$. +where $c \equiv \ln(C)$ is a constant of integration scaling $N_f$. \subsection{Constant unfolding rate} -- 2.26.2