Modeling and simulation of intrinsically disordered biomolecular systems

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.

Name thesis:degree_name

Ph.D.

Level thesis:degree_level

Dissertation

Discipline thesis:degree_discipline

Physics

Grantor

University of Illinois at Urbana-Champaign

Year dc:date

2022

Author dc:creator

• Chou, Han-Yi

Contributors dc:contributor

• Aksimentiev, Aleksei
• Tajkhorshid, Emad
• Luthey-Schulten, Zaida Ann
• Sing, Charles E.

• coarse-grained simulation
• molecular dynamics simulation
• liquid-liquid phase separation
• percolation transition
• nuclear pore complex
• single-stranded binding protein.

Statement dc:rights

• Copyright 2022 Han-Yi Chou

Language dc:language

en, eng

Handle dc:identifier

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

OAI record oai:identifier

https://www.ideals.illinois.edu/oai-pmh?verb=GetRecord&metadataPrefix=etdms&identifier=oai%3Awww.ideals.illinois.edu%3A2142%2F115699