2026-09-18T20:13:24Zhttps://wakespace.lib.wfu.edu/server/oai/request

oai:null:10339/571332026-09-02T14:44:26Zcom_10339_14934col_10339_38132

Li, Rongzhong 2015-06-23T08:35:49Z 2015-06-23T08:35:49Z 2015 https://wakespace.lib.wfu.edu/handle/10339/57133 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. en Wake Forest University interaction molecular dynamics nano particle protein simulation tRNA Molecular Dynamic Simulation of Bio-molecular Dynamics, Folding, and Assembly Dissertation Cho, Samuel S John, David Salsbury, Freddie R Guthold, Martin Pauca, Paul Physics open.access