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Understanding Co-Translational Protein Targeting and Lithium Dendrite Formation through Free Energy Simulations and Coarse-Grained Models

Citation

Wang, Connie Yuan-Ying (2016) Understanding Co-Translational Protein Targeting and Lithium Dendrite Formation through Free Energy Simulations and Coarse-Grained Models. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/Z97H1GHF. https://resolver.caltech.edu/CaltechTHESIS:05232016-092808469

Abstract

We describe the application of alchemical free energy methods and coarse-grained models to study two key problems: (i) co-translational protein targeting and insertion to direct membrane proteins to the endoplasmic reticulum for proper localization and folding, (ii) lithium dendrite formation during recharging of lithium metal batteries. We show that conformational changes in the signal recognition particle, a central component of the protein targeting machinery, confer additional specificity during the the recognition of signal sequences. We then develop a three-dimensional coarse-grained model to study the long-timescale dynamics of membrane protein integration at the translocon and a framework for the calculation of binding free energies between the ribosome and translocon. Finally, we develop a coarse-grained model to capture the dynamics of lithium deposition and dissolution at the electrode interface with time-dependent voltages to show that pulse plating and reverse pulse plating methods can mitigate dendrite growth.

Item Type:Thesis (Dissertation (Ph.D.))
Subject Keywords:Co-translational targeting, molecular dynamics, coarse-grained model, lithium dendrite, reaction-diffusion model, pulse plating, reverse pulse plating
Degree Grantor:California Institute of Technology
Division:Chemistry and Chemical Engineering
Major Option:Chemistry
Thesis Availability:Public (worldwide access)
Research Advisor(s):
  • Miller, Thomas F.
Thesis Committee:
  • Mayo, Stephen L. (chair)
  • Miller, Thomas F.
  • Wang, Zhen-Gang
  • Shan, Shu-ou
Defense Date:20 May 2016
Record Number:CaltechTHESIS:05232016-092808469
Persistent URL:https://resolver.caltech.edu/CaltechTHESIS:05232016-092808469
DOI:10.7907/Z97H1GHF
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1074/jbc.M114.584912DOIArticle adapted for ch. 2
ORCID:
AuthorORCID
Wang, Connie Yuan-Ying0000-0003-2971-3971
Default Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:9733
Collection:CaltechTHESIS
Deposited By: Connie Wang
Deposited On:01 Jun 2016 19:59
Last Modified:04 Oct 2019 00:13

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