Item Details

title

Molecular Dynamic Simulation of Bio-molecular Dynamics, Folding, and Assembly

author

Li, Rongzhong

abstract

A major goal in ​molecular ​biophysics is to understand how biomolecules fold into specific structures to carry out ​cellular processes to result in a functioning organism. ​Computational molecular dynamics (MD) simulations can characterize biomolecules at a microscopic level. These indispensable tools use classical mechanical approaches to describe biomolecular dynamics, folding, and binding mechanisms. Although there are many different types of MD simulations, I will focus on two classes of approaches: empirical force field and coarse-grained native structure based ones. In the present thesis, I will discuss recent MD simulation studies of RNA, protein-RNA, and protein-nanoparticle interactions with direct comparisons to experiments whenever possible to validate our approaches.

subject

interaction

molecular dynamics

nano particle

protein

simulation

tRNA

contributor

Cho, Samuel S (committee chair)

John, David (committee member)

Salsbury, Freddie R (committee member)

Guthold, Martin (committee member)

Pauca, Paul (committee member)

date

2015-06-23T08:35:49Z (accessioned)

2015-06-23T08:35:49Z (available)

2015 (issued)

degree

Physics (discipline)

identifier

http://hdl.handle.net/10339/57133 (uri)

language

en (iso)

publisher

Wake Forest University

type

Dissertation