University of Illinois Urbana-Champaign

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.
Graduation Semester
2022-05
Type of Resource
Thesis
Copyright and License Information
Copyright 2022 Han-Yi Chou

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