Modeling and simulation of intrinsically disordered biomolecular systems
Chou, Han-Yi
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https://hdl.handle.net/2142/115699
Description
Title
Modeling and simulation of intrinsically disordered biomolecular systems
Author(s)
Chou, Han-Yi
Issue Date
2022-04-15
Director of Research (if dissertation) or Advisor (if thesis)
Aksimentiev, Aleksei
Doctoral Committee Chair(s)
Tajkhorshid, Emad
Committee Member(s)
Luthey-Schulten, Zaida Ann
Sing, Charles E.
Department of Study
Physics
Discipline
Physics
Degree Granting Institution
University of Illinois at Urbana-Champaign
Degree Name
Ph.D.
Degree Level
Dissertation
Keyword(s)
coarse-grained simulation
molecular dynamics simulation
liquid-liquid phase separation
percolation transition
nuclear pore complex
single-stranded binding protein.
Abstract
The conventional sequence-structure-functionality paradigm relates the molecular structures uniquely to the biological functionalities. Recently, this paradigm has been complemented by a new perspective as overwhelming experimental evidence reveals the significant roles of intrinsically disordered molecules in multiple biological functions. Despite of advancement in modern laboratory equipments and techniques, simulation and theoretical modeling remain valuable and serve as complementary tools for they are able to probe into details and to provide explanations for experimental observations. In this dissertation, simulation and modeling were combined to investigate intrinsically disordered molecules in various biological systems. Our research provides detailed descriptions and theoretical models for multiple intrinsically disordered molecules which are vital in cellular functions.
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