%!TEX root = thesis.tex \makeglossaries \newacronym{MD}{MD}{molecular dynamics} \newacronym{LJ}{LJ}{Lennard-Jones} \newacronym{PME}{PME}{particle-mesh Ewald} \newacronym{HCN}{HCN}{hyperpolarization-activated cyclic nucleotide-gated} \newacronym{VSD}{VSD}{voltage sensor domain} \newacronym{LBD}{LBD}{ligand-binding domain} \newacronym{PD}{PD}{pore domain} \newacronym{SF}{SF}{selectivity filter} \newacronym{TPCs}{TPCs}{two-pore channels} \newacronym{KTN}{KTN}{nucleotide-binding domain} \newacronym{Na}{Na\textsuperscript{+}}{sodium} \newacronym{K}{K\textsuperscript{+}}{potassium} \newacronym{Cl}{Cl\textsuperscript{-}}{chloride} \newacronym{Ca}{Ca\textsuperscript{2+}}{calcium} \newacronym[firstplural=voltage-gated ion channels (VGICs)]{VGIC}{VGIC}{voltage-gated ion channel} \newacronym{If}{I\textsubscript{f}}{funny current} \newacronym[firstplural=transmembrane helices (TMHs)]{TMH}{TMH}{transmembrane helix} \newacronym{Kv}{K\textsubscript{V}}{voltage-gated potassium channel} \newacronym{Kchannel}{K\textsuperscript{+}~channel}{potassium channel} \newacronym{SAN}{SAN}{sinoatrial node} \newacronym{CNBD}{CNBD}{cyclic-nucleotide binding-domain} \newacronym{cAMP}{cAMP}{cyclic-adenosine monophosphate} \newacronym{cGMP}{cGMP}{cyclic-guanosine monophosphate} \newacronym{TRIP8b}{TRIP8b}{tetratricopeptide repeat-containing Rab8b-interacting protein} \newacronym{HCND}{HCND}{HCN domain} \newacronym{AA}{AA}{amino acid} \newacronym{PBC}{PBC}{periodic boundary conditions} \newacronym{PMF}{PMF}{potential of mean force} \newacronym{CV}{CV}{collective variable} \newacronym{MFEP}{MFEP}{minimal free energy pathway} \newacronym{FES}{FES}{free energy surface} \newacronym{US}{US}{umbrella sampling} \newacronym{WHAM}{WHAM}{Weighted Histogram Analysis Method} \newacronym{TEA}{TEA\textsuperscript{+}}{tetraethylazanium} \newacronym{POPC}{POPC}{palmitoyloleoylphosphatidylcholine} \newacronym{VdW}{VdW}{Van der Waals} \newacronym{RDF}{RDF}{radial distribution function} \newacronym{COM}{COM}{center-of-mass} \newacronym{CF}{CF}{cystic fibrosis} \newacronym{CFTR}{CFTR}{cystic fibrosis transmembrane conductance regulator} \newacronym{NEB}{NEB}{nudged elastic band} \newacronym{TST}{TST}{transition state theory} \newacronym{wt}{wt}{wildtype} \newcommand{\K}{\gls{K}\xspace} \newcommand{\Na}{\gls{Na}\xspace} \newcommand{\Cl}{\gls{Cl}\xspace} \newcommand{\Ca}{\gls{Ca}\xspace} \newcommand{\Calpha}{C\subs{$\alpha$}\xspace} \newcommand{\s}[1]{s\textsubscript{#1}\xspace} \newcommand{\p}[1]{p\textsubscript{#1}\xspace} \newcommand{\z}[1]{z\textsubscript{#1}\xspace} \newcommand{\Kchannel}{\K~channel\xspace} \newcommand{\Kchannels}{\K~channels\xspace} \newcommand{\KK}{\gls{K}/\gls{K}\xspace} \newcommand{\NaNa}{\gls{Na}/\gls{Na}\xspace} \newcommand{\KNa}{\gls{K}/\gls{Na}\xspace} \newcommand{\NaK}{\gls{Na}/\gls{K}\xspace} \newcommand{\KKK}{\gls{K}/\gls{K}/\gls{K}\xspace} \newcommand{\NaNaNa}{\gls{Na}/\gls{Na}/\gls{Na}\xspace} \newcommand{\KNaNa}{\gls{K}/\gls{Na}/\gls{Na}\xspace} \newcommand{\NaKK}{\gls{Na}/\gls{K}/\gls{K}\xspace} \glsaddall