Modeling and simulation of intrinsically disordered biomolecular systems

Chou, Han-Yi

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https://hdl.handle.net/2142/115699 Copy

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

Handle URL

https://hdl.handle.net/2142/115699

Copyright and License Information

Copyright 2022 Han-Yi Chou

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